 vasp.5.4.1 05Feb16 (build Aug 05 2016 10:15:40) complex                        
  
 executed on 15.0.1.133-OMPI-1.10 date 2017.05.12  04:06:37
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   4 cores,    4 groups


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


 INCAR:
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE C 08Apr2002                   
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =    0.863    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  644.873                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -273.3789   2.0000                                         
     2  0  0.50       -13.7508   2.0000                                         
     2  1  0.50        -5.2854   2.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.7508458     23  1.200                                             
     0     -8.2022199     23  1.200                                             
     1     -5.2854383     23  1.500                                             
     1     34.0145650     23  1.500                                             
     2     -5.4423304      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE C 08Apr2002                   :
 energy of atom  1       EATOM= -147.1560
 kinetic energy error for atom=    0.0288 (will be added to EATOM!!)
 
 
 POSCAR: diamond                                 
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 1.54   2 1.54   2 1.54   2 1.54
   2  0.250  0.250  0.250-   1 1.54   1 1.54   1 1.54   1 1.54
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     3.5618587320
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   1.7809293660,   1.7809293660)
 A2 = (   1.7809293660,   0.0000000000,   1.7809293660)
 A3 = (   1.7809293660,   1.7809293660,   0.0000000000)


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

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


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

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations

 
 
 KPOINTS: k-points for bandstructure G-X-W-K-F-L-U
  interpolating k-points between supplied coordinates
  k-points in reciprocal lattice
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
    6    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    8     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    9     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   10    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   13     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   14     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   15     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   16    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   17    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   18    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   19     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   20     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   22    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   23    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   25    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   26    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   27    -1.000000   120.000000     0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   28     1.000000    90.000000     0.000000     0.000000    -1.000000     0.250000     0.250000     0.250000
   29     1.000000   180.000000     0.000000     0.707107     0.707107     0.250000     0.250000     0.250000
   30     1.000000    90.000000     0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   31    -1.000000   180.000000     0.000000     0.000000     1.000000     0.250000     0.250000     0.250000
   32    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   33    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   34     1.000000    90.000000     0.000000     0.000000     1.000000     0.250000     0.250000     0.250000
   35     1.000000    90.000000    -1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   36     1.000000   180.000000     0.707107     0.000000     0.707107     0.250000     0.250000     0.250000
   37    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   38    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   39    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   40     1.000000    90.000000     0.000000    -1.000000     0.000000     0.250000     0.250000     0.250000
   41     1.000000   180.000000     0.707107     0.707107     0.000000     0.250000     0.250000     0.250000
   42     1.000000    90.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   43    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   44    -1.000000   180.000000     0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   45    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   46     1.000000   180.000000     0.000000    -0.707107     0.707107     0.250000     0.250000     0.250000
   47     1.000000   180.000000     0.707107    -0.707107     0.000000     0.250000     0.250000     0.250000
   48     1.000000   180.000000     0.707107     0.000000    -0.707107     0.250000     0.250000     0.250000


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




 Dimension of arrays:
   k-points           NKPTS =    400   k-points in BZ     NKDIM =    400   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =   4096
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   4478
   dimension x,y,z NGX =    16 NGY =   16 NGZ =   16
   dimension x,y,z NGXF=    32 NGYF=   32 NGZF=   32
   support grid    NGXF=    32 NGYF=   32 NGZF=   32
   ions per type =               2
 NGX,Y,Z   is equivalent  to a cutoff of  10.56, 10.56, 10.56 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  21.12, 21.12, 21.12 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    16 NGY =   16 NGZ =   16
 SYSTEM =  diamond_primitive_PBE                   
 POSCAR =  diamond                                 

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    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  =  400.0 eV  29.40 Ry    5.42 a.u.   4.11  4.11  4.11*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-02   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  =      0    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   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.145E-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 =  12.01
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    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 =     0;   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=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.21E-05  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       5.65        38.12
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.459200  2.757488 28.970401  2.129264
  Thomas-Fermi vector in A             =   2.575795
 
 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =    0.100 relaxation time in fs

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field



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


 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            8
 reciprocal 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)
 Gauss-broadening in eV      SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :       11.30
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.780929366  1.780929366    -0.280752291  0.280752291  0.280752291
     1.780929366  0.000000000  1.780929366     0.280752291 -0.280752291  0.280752291
     1.780929366  1.780929366  0.000000000     0.280752291  0.280752291 -0.280752291

  length of vectors
     2.518614463  2.518614463  2.518614463     0.486277233  0.486277233  0.486277233


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :       11.30
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.780929366  1.780929366    -0.280752291  0.280752291  0.280752291
     1.780929366  0.000000000  1.780929366     0.280752291 -0.280752291  0.280752291
     1.780929366  1.780929366  0.000000000     0.280752291  0.280752291 -0.280752291

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: k-points for bandstructure G-X-W-K-F-L-U
   0.00000000  0.00000000  0.00000000       0.003
   0.00000000  0.02564103  0.00000000       0.003
   0.00000000  0.05128205  0.00000000       0.003
   0.00000000  0.07692308  0.00000000       0.003
   0.00000000  0.10256410  0.00000000       0.003
   0.00000000  0.12820513  0.00000000       0.003
   0.00000000  0.15384615  0.00000000       0.003
   0.00000000  0.17948718  0.00000000       0.003
   0.00000000  0.20512821  0.00000000       0.003
   0.00000000  0.23076923  0.00000000       0.003
   0.00000000  0.25641026  0.00000000       0.003
   0.00000000  0.28205128  0.00000000       0.003
   0.00000000  0.30769231  0.00000000       0.003
   0.00000000  0.33333333  0.00000000       0.003
   0.00000000  0.35897436  0.00000000       0.003
   0.00000000  0.38461538  0.00000000       0.003
   0.00000000  0.41025641  0.00000000       0.003
   0.00000000  0.43589744  0.00000000       0.003
   0.00000000  0.46153846  0.00000000       0.003
   0.00000000  0.48717949  0.00000000       0.003
   0.00000000  0.51282051  0.00000000       0.003
   0.00000000  0.53846154  0.00000000       0.003
   0.00000000  0.56410256  0.00000000       0.003
   0.00000000  0.58974359  0.00000000       0.003
   0.00000000  0.61538462  0.00000000       0.003
   0.00000000  0.64102564  0.00000000       0.003
   0.00000000  0.66666667  0.00000000       0.003
   0.00000000  0.69230769  0.00000000       0.003
   0.00000000  0.71794872  0.00000000       0.003
   0.00000000  0.74358974  0.00000000       0.003
   0.00000000  0.76923077  0.00000000       0.003
   0.00000000  0.79487179  0.00000000       0.003
   0.00000000  0.82051282  0.00000000       0.003
   0.00000000  0.84615385  0.00000000       0.003
   0.00000000  0.87179487  0.00000000       0.003
   0.00000000  0.89743590  0.00000000       0.003
   0.00000000  0.92307692  0.00000000       0.003
   0.00000000  0.94871795  0.00000000       0.003
   0.00000000  0.97435897  0.00000000       0.003
   0.00000000  1.00000000  0.00000000       0.003
   0.00000000  1.00000000  0.00000000       0.003
   0.01282051  1.00000000  0.00000000       0.003
   0.02564103  1.00000000  0.00000000       0.003
   0.03846154  1.00000000 -0.00000000       0.003
   0.05128205  1.00000000  0.00000000       0.003
   0.06410256  1.00000000  0.00000000       0.003
   0.07692308  1.00000000  0.00000000       0.003
   0.08974359  1.00000000  0.00000000       0.003
   0.10256410  1.00000000  0.00000000       0.003
   0.11538462  1.00000000 -0.00000000       0.003
   0.12820513  1.00000000  0.00000000       0.003
   0.14102564  1.00000000  0.00000000       0.003
   0.15384615  1.00000000  0.00000000       0.003
   0.16666667  1.00000000  0.00000000       0.003
   0.17948718  1.00000000  0.00000000       0.003
   0.19230769  1.00000000  0.00000000       0.003
   0.20512821  1.00000000  0.00000000       0.003
   0.21794872  1.00000000 -0.00000000       0.003
   0.23076923  1.00000000  0.00000000       0.003
   0.24358974  1.00000000  0.00000000       0.003
   0.25641026  1.00000000  0.00000000       0.003
   0.26923077  1.00000000  0.00000000       0.003
   0.28205128  1.00000000  0.00000000       0.003
   0.29487179  1.00000000  0.00000000       0.003
   0.30769231  1.00000000 -0.00000000       0.003
   0.32051282  1.00000000  0.00000000       0.003
   0.33333333  1.00000000  0.00000000       0.003
   0.34615385  1.00000000  0.00000000       0.003
   0.35897436  1.00000000  0.00000000       0.003
   0.37179487  1.00000000  0.00000000       0.003
   0.38461538  1.00000000  0.00000000       0.003
   0.39743590  1.00000000  0.00000000       0.003
   0.41025641  1.00000000  0.00000000       0.003
   0.42307692  1.00000000  0.00000000       0.003
   0.43589744  1.00000000  0.00000000       0.003
   0.44871795  1.00000000  0.00000000       0.003
   0.46153846  1.00000000  0.00000000       0.003
   0.47435897  1.00000000 -0.00000000       0.003
   0.48717949  1.00000000  0.00000000       0.003
   0.50000000  1.00000000  0.00000000       0.003
   0.50000000  1.00000000  0.00000000       0.003
   0.50641026  0.99358974  0.00000000       0.003
   0.51282051  0.98717949  0.00000000       0.003
   0.51923077  0.98076923  0.00000000       0.003
   0.52564103  0.97435897  0.00000000       0.003
   0.53205128  0.96794872  0.00000000       0.003
   0.53846154  0.96153846  0.00000000       0.003
   0.54487179  0.95512821  0.00000000       0.003
   0.55128205  0.94871795  0.00000000       0.003
   0.55769231  0.94230769  0.00000000       0.003
   0.56410256  0.93589744  0.00000000       0.003
   0.57051282  0.92948718  0.00000000       0.003
   0.57692308  0.92307692  0.00000000       0.003
   0.58333333  0.91666667  0.00000000       0.003
   0.58974359  0.91025641  0.00000000       0.003
   0.59615385  0.90384615  0.00000000       0.003
   0.60256410  0.89743590  0.00000000       0.003
   0.60897436  0.89102564  0.00000000       0.003
   0.61538462  0.88461538  0.00000000       0.003
   0.62179487  0.87820513  0.00000000       0.003
   0.62820513  0.87179487  0.00000000       0.003
   0.63461538  0.86538462  0.00000000       0.003
   0.64102564  0.85897436  0.00000000       0.003
   0.64743590  0.85256410  0.00000000       0.003
   0.65384615  0.84615385  0.00000000       0.003
   0.66025641  0.83974359  0.00000000       0.003
   0.66666667  0.83333333  0.00000000       0.003
   0.67307692  0.82692308  0.00000000       0.003
   0.67948718  0.82051282  0.00000000       0.003
   0.68589744  0.81410256  0.00000000       0.003
   0.69230769  0.80769231  0.00000000       0.003
   0.69871795  0.80128205  0.00000000       0.003
   0.70512821  0.79487179  0.00000000       0.003
   0.71153846  0.78846154  0.00000000       0.003
   0.71794872  0.78205128  0.00000000       0.003
   0.72435897  0.77564103  0.00000000       0.003
   0.73076923  0.76923077  0.00000000       0.003
   0.73717949  0.76282051  0.00000000       0.003
   0.74358974  0.75641026  0.00000000       0.003
   0.75000000  0.75000000  0.00000000       0.003
   0.75000000  0.75000000  0.00000000       0.003
   0.73076923  0.73076923  0.00000000       0.003
   0.71153846  0.71153846  0.00000000       0.003
   0.69230769  0.69230769  0.00000000       0.003
   0.67307692  0.67307692  0.00000000       0.003
   0.65384615  0.65384615  0.00000000       0.003
   0.63461538  0.63461538  0.00000000       0.003
   0.61538462  0.61538462  0.00000000       0.003
   0.59615385  0.59615385  0.00000000       0.003
   0.57692308  0.57692308  0.00000000       0.003
   0.55769231  0.55769231  0.00000000       0.003
   0.53846154  0.53846154  0.00000000       0.003
   0.51923077  0.51923077  0.00000000       0.003
   0.50000000  0.50000000  0.00000000       0.003
   0.48076923  0.48076923  0.00000000       0.003
   0.46153846  0.46153846  0.00000000       0.003
   0.44230769  0.44230769  0.00000000       0.003
   0.42307692  0.42307692  0.00000000       0.003
   0.40384615  0.40384615  0.00000000       0.003
   0.38461538  0.38461538  0.00000000       0.003
   0.36538462  0.36538462  0.00000000       0.003
   0.34615385  0.34615385  0.00000000       0.003
   0.32692308  0.32692308  0.00000000       0.003
   0.30769231  0.30769231  0.00000000       0.003
   0.28846154  0.28846154  0.00000000       0.003
   0.26923077  0.26923077  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.003
   0.23076923  0.23076923  0.00000000       0.003
   0.21153846  0.21153846  0.00000000       0.003
   0.19230769  0.19230769  0.00000000       0.003
   0.17307692  0.17307692  0.00000000       0.003
   0.15384615  0.15384615  0.00000000       0.003
   0.13461538  0.13461538  0.00000000       0.003
   0.11538462  0.11538462  0.00000000       0.003
   0.09615385  0.09615385  0.00000000       0.003
   0.07692308  0.07692308  0.00000000       0.003
   0.05769231  0.05769231  0.00000000       0.003
   0.03846154  0.03846154  0.00000000       0.003
   0.01923077  0.01923077  0.00000000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.01282051  0.01282051  0.01282051       0.003
   0.02564103  0.02564103  0.02564103       0.003
   0.03846154  0.03846154  0.03846154       0.003
   0.05128205  0.05128205  0.05128205       0.003
   0.06410256  0.06410256  0.06410256       0.003
   0.07692308  0.07692308  0.07692308       0.003
   0.08974359  0.08974359  0.08974359       0.003
   0.10256410  0.10256410  0.10256410       0.003
   0.11538462  0.11538462  0.11538462       0.003
   0.12820513  0.12820513  0.12820513       0.003
   0.14102564  0.14102564  0.14102564       0.003
   0.15384615  0.15384615  0.15384615       0.003
   0.16666667  0.16666667  0.16666667       0.003
   0.17948718  0.17948718  0.17948718       0.003
   0.19230769  0.19230769  0.19230769       0.003
   0.20512821  0.20512821  0.20512821       0.003
   0.21794872  0.21794872  0.21794872       0.003
   0.23076923  0.23076923  0.23076923       0.003
   0.24358974  0.24358974  0.24358974       0.003
   0.25641026  0.25641026  0.25641026       0.003
   0.26923077  0.26923077  0.26923077       0.003
   0.28205128  0.28205128  0.28205128       0.003
   0.29487179  0.29487179  0.29487179       0.003
   0.30769231  0.30769231  0.30769231       0.003
   0.32051282  0.32051282  0.32051282       0.003
   0.33333333  0.33333333  0.33333333       0.003
   0.34615385  0.34615385  0.34615385       0.003
   0.35897436  0.35897436  0.35897436       0.003
   0.37179487  0.37179487  0.37179487       0.003
   0.38461538  0.38461538  0.38461538       0.003
   0.39743590  0.39743590  0.39743590       0.003
   0.41025641  0.41025641  0.41025641       0.003
   0.42307692  0.42307692  0.42307692       0.003
   0.43589744  0.43589744  0.43589744       0.003
   0.44871795  0.44871795  0.44871795       0.003
   0.46153846  0.46153846  0.46153846       0.003
   0.47435897  0.47435897  0.47435897       0.003
   0.48717949  0.48717949  0.48717949       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.49358974  0.51282051  0.49358974       0.003
   0.48717949  0.52564103  0.48717949       0.003
   0.48076923  0.53846154  0.48076923       0.003
   0.47435897  0.55128205  0.47435897       0.003
   0.46794872  0.56410256  0.46794872       0.003
   0.46153846  0.57692308  0.46153846       0.003
   0.45512821  0.58974359  0.45512821       0.003
   0.44871795  0.60256410  0.44871795       0.003
   0.44230769  0.61538462  0.44230769       0.003
   0.43589744  0.62820513  0.43589744       0.003
   0.42948718  0.64102564  0.42948718       0.003
   0.42307692  0.65384615  0.42307692       0.003
   0.41666667  0.66666667  0.41666667       0.003
   0.41025641  0.67948718  0.41025641       0.003
   0.40384615  0.69230769  0.40384615       0.003
   0.39743590  0.70512821  0.39743590       0.003
   0.39102564  0.71794872  0.39102564       0.003
   0.38461538  0.73076923  0.38461538       0.003
   0.37820513  0.74358974  0.37820513       0.003
   0.37179487  0.75641026  0.37179487       0.003
   0.36538462  0.76923077  0.36538462       0.003
   0.35897436  0.78205128  0.35897436       0.003
   0.35256410  0.79487179  0.35256410       0.003
   0.34615385  0.80769231  0.34615385       0.003
   0.33974359  0.82051282  0.33974359       0.003
   0.33333333  0.83333333  0.33333333       0.003
   0.32692308  0.84615385  0.32692308       0.003
   0.32051282  0.85897436  0.32051282       0.003
   0.31410256  0.87179487  0.31410256       0.003
   0.30769231  0.88461538  0.30769231       0.003
   0.30128205  0.89743590  0.30128205       0.003
   0.29487179  0.91025641  0.29487179       0.003
   0.28846154  0.92307692  0.28846154       0.003
   0.28205128  0.93589744  0.28205128       0.003
   0.27564103  0.94871795  0.27564103       0.003
   0.26923077  0.96153846  0.26923077       0.003
   0.26282051  0.97435897  0.26282051       0.003
   0.25641026  0.98717949  0.25641026       0.003
   0.25000000  1.00000000  0.25000000       0.003
   0.25000000  1.00000000  0.25000000       0.003
   0.25641026  1.00000000  0.24358974       0.003
   0.26282051  1.00000000  0.23717949       0.003
   0.26923077  1.00000000  0.23076923       0.003
   0.27564103  1.00000000  0.22435897       0.003
   0.28205128  1.00000000  0.21794872       0.003
   0.28846154  1.00000000  0.21153846       0.003
   0.29487179  1.00000000  0.20512821       0.003
   0.30128205  1.00000000  0.19871795       0.003
   0.30769231  1.00000000  0.19230769       0.003
   0.31410256  1.00000000  0.18589744       0.003
   0.32051282  1.00000000  0.17948718       0.003
   0.32692308  1.00000000  0.17307692       0.003
   0.33333333  1.00000000  0.16666667       0.003
   0.33974359  1.00000000  0.16025641       0.003
   0.34615385  1.00000000  0.15384615       0.003
   0.35256410  1.00000000  0.14743590       0.003
   0.35897436  1.00000000  0.14102564       0.003
   0.36538462  1.00000000  0.13461538       0.003
   0.37179487  1.00000000  0.12820513       0.003
   0.37820513  1.00000000  0.12179487       0.003
   0.38461538  1.00000000  0.11538462       0.003
   0.39102564  1.00000000  0.10897436       0.003
   0.39743590  1.00000000  0.10256410       0.003
   0.40384615  1.00000000  0.09615385       0.003
   0.41025641  1.00000000  0.08974359       0.003
   0.41666667  1.00000000  0.08333333       0.003
   0.42307692  1.00000000  0.07692308       0.003
   0.42948718  1.00000000  0.07051282       0.003
   0.43589744  1.00000000  0.06410256       0.003
   0.44230769  1.00000000  0.05769231       0.003
   0.44871795  1.00000000  0.05128205       0.003
   0.45512821  1.00000000  0.04487179       0.003
   0.46153846  1.00000000  0.03846154       0.003
   0.46794872  1.00000000  0.03205128       0.003
   0.47435897  1.00000000  0.02564103       0.003
   0.48076923  1.00000000  0.01923077       0.003
   0.48717949  1.00000000  0.01282051       0.003
   0.49358974  1.00000000  0.00641026       0.003
   0.50000000  1.00000000  0.00000000       0.003
   0.50000000  1.00000000  0.00000000       0.003
   0.50000000  0.98717949  0.01282051       0.003
   0.50000000  0.97435897  0.02564103       0.003
   0.50000000  0.96153846  0.03846154       0.003
   0.50000000  0.94871795  0.05128205       0.003
   0.50000000  0.93589744  0.06410256       0.003
   0.50000000  0.92307692  0.07692308       0.003
   0.50000000  0.91025641  0.08974359       0.003
   0.50000000  0.89743590  0.10256410       0.003
   0.50000000  0.88461538  0.11538462       0.003
   0.50000000  0.87179487  0.12820513       0.003
   0.50000000  0.85897436  0.14102564       0.003
   0.50000000  0.84615385  0.15384615       0.003
   0.50000000  0.83333333  0.16666667       0.003
   0.50000000  0.82051282  0.17948718       0.003
   0.50000000  0.80769231  0.19230769       0.003
   0.50000000  0.79487179  0.20512821       0.003
   0.50000000  0.78205128  0.21794872       0.003
   0.50000000  0.76923077  0.23076923       0.003
   0.50000000  0.75641026  0.24358974       0.003
   0.50000000  0.74358974  0.25641026       0.003
   0.50000000  0.73076923  0.26923077       0.003
   0.50000000  0.71794872  0.28205128       0.003
   0.50000000  0.70512821  0.29487179       0.003
   0.50000000  0.69230769  0.30769231       0.003
   0.50000000  0.67948718  0.32051282       0.003
   0.50000000  0.66666667  0.33333333       0.003
   0.50000000  0.65384615  0.34615385       0.003
   0.50000000  0.64102564  0.35897436       0.003
   0.50000000  0.62820513  0.37179487       0.003
   0.50000000  0.61538462  0.38461538       0.003
   0.50000000  0.60256410  0.39743590       0.003
   0.50000000  0.58974359  0.41025641       0.003
   0.50000000  0.57692308  0.42307692       0.003
   0.50000000  0.56410256  0.43589744       0.003
   0.50000000  0.55128205  0.44871795       0.003
   0.50000000  0.53846154  0.46153846       0.003
   0.50000000  0.52564103  0.47435897       0.003
   0.50000000  0.51282051  0.48717949       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.50641026  0.50641026  0.48717949       0.003
   0.51282051  0.51282051  0.47435897       0.003
   0.51923077  0.51923077  0.46153846       0.003
   0.52564103  0.52564103  0.44871795       0.003
   0.53205128  0.53205128  0.43589744       0.003
   0.53846154  0.53846154  0.42307692       0.003
   0.54487179  0.54487179  0.41025641       0.003
   0.55128205  0.55128205  0.39743590       0.003
   0.55769231  0.55769231  0.38461538       0.003
   0.56410256  0.56410256  0.37179487       0.003
   0.57051282  0.57051282  0.35897436       0.003
   0.57692308  0.57692308  0.34615385       0.003
   0.58333333  0.58333333  0.33333333       0.003
   0.58974359  0.58974359  0.32051282       0.003
   0.59615385  0.59615385  0.30769231       0.003
   0.60256410  0.60256410  0.29487179       0.003
   0.60897436  0.60897436  0.28205128       0.003
   0.61538462  0.61538462  0.26923077       0.003
   0.62179487  0.62179487  0.25641026       0.003
   0.62820513  0.62820513  0.24358974       0.003
   0.63461538  0.63461538  0.23076923       0.003
   0.64102564  0.64102564  0.21794872       0.003
   0.64743590  0.64743590  0.20512821       0.003
   0.65384615  0.65384615  0.19230769       0.003
   0.66025641  0.66025641  0.17948718       0.003
   0.66666667  0.66666667  0.16666667       0.003
   0.67307692  0.67307692  0.15384615       0.003
   0.67948718  0.67948718  0.14102564       0.003
   0.68589744  0.68589744  0.12820513       0.003
   0.69230769  0.69230769  0.11538462       0.003
   0.69871795  0.69871795  0.10256410       0.003
   0.70512821  0.70512821  0.08974359       0.003
   0.71153846  0.71153846  0.07692308       0.003
   0.71794872  0.71794872  0.06410256       0.003
   0.72435897  0.72435897  0.05128205       0.003
   0.73076923  0.73076923  0.03846154       0.003
   0.73717949  0.73717949  0.02564103       0.003
   0.74358974  0.74358974  0.01282051       0.003
   0.75000000  0.75000000  0.00000000       0.003
   0.25000000  1.00000000  0.25000000       0.003
   0.24358974  1.00000000  0.24358974       0.003
   0.23717949  1.00000000  0.23717949       0.003
   0.23076923  1.00000000  0.23076923       0.003
   0.22435897  1.00000000  0.22435897       0.003
   0.21794872  1.00000000  0.21794872       0.003
   0.21153846  1.00000000  0.21153846       0.003
   0.20512821  1.00000000  0.20512821       0.003
   0.19871795  1.00000000  0.19871795       0.003
   0.19230769  1.00000000  0.19230769       0.003
   0.18589744  1.00000000  0.18589744       0.003
   0.17948718  1.00000000  0.17948718       0.003
   0.17307692  1.00000000  0.17307692       0.003
   0.16666667  1.00000000  0.16666667       0.003
   0.16025641  1.00000000  0.16025641       0.003
   0.15384615  1.00000000  0.15384615       0.003
   0.14743590  1.00000000  0.14743590       0.003
   0.14102564  1.00000000  0.14102564       0.003
   0.13461538  1.00000000  0.13461538       0.003
   0.12820513  1.00000000  0.12820513       0.003
   0.12179487  1.00000000  0.12179487       0.003
   0.11538462  1.00000000  0.11538462       0.003
   0.10897436  1.00000000  0.10897436       0.003
   0.10256410  1.00000000  0.10256410       0.003
   0.09615385  1.00000000  0.09615385       0.003
   0.08974359  1.00000000  0.08974359       0.003
   0.08333333  1.00000000  0.08333333       0.003
   0.07692308  1.00000000  0.07692308       0.003
   0.07051282  1.00000000  0.07051282       0.003
   0.06410256  1.00000000  0.06410256       0.003
   0.05769231  1.00000000  0.05769231       0.003
   0.05128205  1.00000000  0.05128205       0.003
   0.04487179  1.00000000  0.04487179       0.003
   0.03846154  1.00000000  0.03846154       0.003
   0.03205128  1.00000000  0.03205128       0.003
   0.02564103  1.00000000  0.02564103       0.003
   0.01923077  1.00000000  0.01923077       0.003
   0.01282051  1.00000000  0.01282051       0.003
   0.00641026  1.00000000  0.00641026       0.003
   0.00000000  1.00000000  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: k-points for bandstructure G-X-W-K-F-L-U
   0.00000000  0.00000000  0.00000000       0.003
   0.01282051  0.00000000  0.01282051       0.003
   0.02564103  0.00000000  0.02564103       0.003
   0.03846154  0.00000000  0.03846154       0.003
   0.05128205  0.00000000  0.05128205       0.003
   0.06410256  0.00000000  0.06410256       0.003
   0.07692308  0.00000000  0.07692308       0.003
   0.08974359  0.00000000  0.08974359       0.003
   0.10256410  0.00000000  0.10256410       0.003
   0.11538462  0.00000000  0.11538462       0.003
   0.12820513  0.00000000  0.12820513       0.003
   0.14102564  0.00000000  0.14102564       0.003
   0.15384615  0.00000000  0.15384615       0.003
   0.16666667  0.00000000  0.16666667       0.003
   0.17948718  0.00000000  0.17948718       0.003
   0.19230769  0.00000000  0.19230769       0.003
   0.20512821  0.00000000  0.20512821       0.003
   0.21794872  0.00000000  0.21794872       0.003
   0.23076923  0.00000000  0.23076923       0.003
   0.24358974  0.00000000  0.24358974       0.003
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   0.38461538  0.38461538  0.73076923       0.003
   0.38141026  0.38141026  0.73717949       0.003
   0.37820513  0.37820513  0.74358974       0.003
   0.37500000  0.37500000  0.75000000       0.003
   0.62500000  0.25000000  0.62500000       0.003
   0.62179487  0.24358974  0.62179487       0.003
   0.61858974  0.23717949  0.61858974       0.003
   0.61538462  0.23076923  0.61538462       0.003
   0.61217949  0.22435897  0.61217949       0.003
   0.60897436  0.21794872  0.60897436       0.003
   0.60576923  0.21153846  0.60576923       0.003
   0.60256410  0.20512821  0.60256410       0.003
   0.59935897  0.19871795  0.59935897       0.003
   0.59615385  0.19230769  0.59615385       0.003
   0.59294872  0.18589744  0.59294872       0.003
   0.58974359  0.17948718  0.58974359       0.003
   0.58653846  0.17307692  0.58653846       0.003
   0.58333333  0.16666667  0.58333333       0.003
   0.58012821  0.16025641  0.58012821       0.003
   0.57692308  0.15384615  0.57692308       0.003
   0.57371795  0.14743590  0.57371795       0.003
   0.57051282  0.14102564  0.57051282       0.003
   0.56730769  0.13461538  0.56730769       0.003
   0.56410256  0.12820513  0.56410256       0.003
   0.56089744  0.12179487  0.56089744       0.003
   0.55769231  0.11538462  0.55769231       0.003
   0.55448718  0.10897436  0.55448718       0.003
   0.55128205  0.10256410  0.55128205       0.003
   0.54807692  0.09615385  0.54807692       0.003
   0.54487179  0.08974359  0.54487179       0.003
   0.54166667  0.08333333  0.54166667       0.003
   0.53846154  0.07692308  0.53846154       0.003
   0.53525641  0.07051282  0.53525641       0.003
   0.53205128  0.06410256  0.53205128       0.003
   0.52884615  0.05769231  0.52884615       0.003
   0.52564103  0.05128205  0.52564103       0.003
   0.52243590  0.04487179  0.52243590       0.003
   0.51923077  0.03846154  0.51923077       0.003
   0.51602564  0.03205128  0.51602564       0.003
   0.51282051  0.02564103  0.51282051       0.003
   0.50961538  0.01923077  0.50961538       0.003
   0.50641026  0.01282051  0.50641026       0.003
   0.50320513  0.00641026  0.50320513       0.003
   0.50000000  0.00000000  0.50000000       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.25000000  0.25000000  0.25000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   0.89046468  0.89046468  0.89046468
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     181
 k-point  2 :   0.0128 0.0000 0.0128  plane waves:     181
 k-point  3 :   0.0256 0.0000 0.0256  plane waves:     181
 k-point  4 :   0.0385 0.0000 0.0385  plane waves:     181
 k-point  5 :   0.0513 0.0000 0.0513  plane waves:     181
 k-point  6 :   0.0641 0.0000 0.0641  plane waves:     189
 k-point  7 :   0.0769 0.0000 0.0769  plane waves:     189
 k-point  8 :   0.0897 0.0000 0.0897  plane waves:     189
 k-point  9 :   0.1026 0.0000 0.1026  plane waves:     190
 k-point 10 :   0.1154 0.0000 0.1154  plane waves:     194
 k-point 11 :   0.1282 0.0000 0.1282  plane waves:     194
 k-point 12 :   0.1410 0.0000 0.1410  plane waves:     194
 k-point 13 :   0.1538 0.0000 0.1538  plane waves:     202
 k-point 14 :   0.1667 0.0000 0.1667  plane waves:     202
 k-point 15 :   0.1795 0.0000 0.1795  plane waves:     202
 k-point 16 :   0.1923 0.0000 0.1923  plane waves:     202
 k-point 17 :   0.2051 0.0000 0.2051  plane waves:     202
 k-point 18 :   0.2179 0.0000 0.2179  plane waves:     202
 k-point 19 :   0.2308 0.0000 0.2308  plane waves:     202
 k-point 20 :   0.2436 0.0000 0.2436  plane waves:     202
 k-point 21 :   0.2564 0.0000 0.2564  plane waves:     202
 k-point 22 :   0.2692 0.0000 0.2692  plane waves:     202
 k-point 23 :   0.2821 0.0000 0.2821  plane waves:     206
 k-point 24 :   0.2949 0.0000 0.2949  plane waves:     206
 k-point 25 :   0.3077 0.0000 0.3077  plane waves:     206
 k-point 26 :   0.3205 0.0000 0.3205  plane waves:     202
 k-point 27 :   0.3333 0.0000 0.3333  plane waves:     202
 k-point 28 :   0.3462 0.0000 0.3462  plane waves:     206
 k-point 29 :   0.3590 0.0000 0.3590  plane waves:     206
 k-point 30 :   0.3718 0.0000 0.3718  plane waves:     206
 k-point 31 :   0.3846 0.0000 0.3846  plane waves:     206
 k-point 32 :   0.3974 0.0000 0.3974  plane waves:     206
 k-point 33 :   0.4103 0.0000 0.4103  plane waves:     206
 k-point 34 :   0.4231 0.0000 0.4231  plane waves:     206
 k-point 35 :   0.4359 0.0000 0.4359  plane waves:     206
 k-point 36 :   0.4487 0.0000 0.4487  plane waves:     206
 k-point 37 :   0.4615 0.0000 0.4615  plane waves:     206
 k-point 38 :   0.4744 0.0000 0.4744  plane waves:     210
 k-point 39 :   0.4872 0.0000 0.4872  plane waves:     206
 k-point 40 :   0.5000 0.0000 0.5000  plane waves:     206
 k-point 41 :   0.5000 0.0000 0.5000  plane waves:     206
 k-point 42 :   0.5000 0.0064 0.5064  plane waves:     206
 k-point 43 :   0.5000 0.0128 0.5128  plane waves:     206
 k-point 44 :   0.5000 0.0192 0.5192  plane waves:     208
 k-point 45 :   0.5000 0.0256 0.5256  plane waves:     214
 k-point 46 :   0.5000 0.0321 0.5321  plane waves:     214
 k-point 47 :   0.5000 0.0385 0.5385  plane waves:     214
 k-point 48 :   0.5000 0.0449 0.5449  plane waves:     214
 k-point 49 :   0.5000 0.0513 0.5513  plane waves:     210
 k-point 50 :   0.5000 0.0577 0.5577  plane waves:     210
 k-point 51 :   0.5000 0.0641 0.5641  plane waves:     210
 k-point 52 :   0.5000 0.0705 0.5705  plane waves:     210
 k-point 53 :   0.5000 0.0769 0.5769  plane waves:     210
 k-point 54 :   0.5000 0.0833 0.5833  plane waves:     210
 k-point 55 :   0.5000 0.0897 0.5897  plane waves:     206
 k-point 56 :   0.5000 0.0962 0.5962  plane waves:     206
 k-point 57 :   0.5000 0.1026 0.6026  plane waves:     206
 k-point 58 :   0.5000 0.1090 0.6090  plane waves:     206
 k-point 59 :   0.5000 0.1154 0.6154  plane waves:     206
 k-point 60 :   0.5000 0.1218 0.6218  plane waves:     206
 k-point 61 :   0.5000 0.1282 0.6282  plane waves:     206
 k-point 62 :   0.5000 0.1346 0.6346  plane waves:     206
 k-point 63 :   0.5000 0.1410 0.6410  plane waves:     208
 k-point 64 :   0.5000 0.1474 0.6474  plane waves:     208
 k-point 65 :   0.5000 0.1538 0.6538  plane waves:     208
 k-point 66 :   0.5000 0.1603 0.6603  plane waves:     208
 k-point 67 :   0.5000 0.1667 0.6667  plane waves:     208
 k-point 68 :   0.5000 0.1731 0.6731  plane waves:     208
 k-point 69 :   0.5000 0.1795 0.6795  plane waves:     208
 k-point 70 :   0.5000 0.1859 0.6859  plane waves:     204
 k-point 71 :   0.5000 0.1923 0.6923  plane waves:     204
 k-point 72 :   0.5000 0.1987 0.6987  plane waves:     204
 k-point 73 :   0.5000 0.2051 0.7051  plane waves:     204
 k-point 74 :   0.5000 0.2115 0.7115  plane waves:     204
 k-point 75 :   0.5000 0.2179 0.7179  plane waves:     204
 k-point 76 :   0.5000 0.2244 0.7244  plane waves:     208
 k-point 77 :   0.5000 0.2308 0.7308  plane waves:     208
 k-point 78 :   0.5000 0.2372 0.7372  plane waves:     208
 k-point 79 :   0.5000 0.2436 0.7436  plane waves:     208
 k-point 80 :   0.5000 0.2500 0.7500  plane waves:     208
 k-point 81 :   0.5000 0.2500 0.7500  plane waves:     208
 k-point 82 :   0.4968 0.2532 0.7500  plane waves:     208
 k-point 83 :   0.4936 0.2564 0.7500  plane waves:     208
 k-point 84 :   0.4904 0.2596 0.7500  plane waves:     208
 k-point 85 :   0.4872 0.2628 0.7500  plane waves:     208
 k-point 86 :   0.4840 0.2660 0.7500  plane waves:     208
 k-point 87 :   0.4808 0.2692 0.7500  plane waves:     206
 k-point 88 :   0.4776 0.2724 0.7500  plane waves:     206
 k-point 89 :   0.4744 0.2756 0.7500  plane waves:     206
 k-point 90 :   0.4712 0.2788 0.7500  plane waves:     206
 k-point 91 :   0.4679 0.2821 0.7500  plane waves:     206
 k-point 92 :   0.4647 0.2853 0.7500  plane waves:     206
 k-point 93 :   0.4615 0.2885 0.7500  plane waves:     206
 k-point 94 :   0.4583 0.2917 0.7500  plane waves:     206
 k-point 95 :   0.4551 0.2949 0.7500  plane waves:     206
 k-point 96 :   0.4519 0.2981 0.7500  plane waves:     206
 k-point 97 :   0.4487 0.3013 0.7500  plane waves:     206
 k-point 98 :   0.4455 0.3045 0.7500  plane waves:     206
 k-point 99 :   0.4423 0.3077 0.7500  plane waves:     206
 k-point ** :   0.4391 0.3109 0.7500  plane waves:     208
 k-point ** :   0.4359 0.3141 0.7500  plane waves:     208
 k-point ** :   0.4327 0.3173 0.7500  plane waves:     208
 k-point ** :   0.4295 0.3205 0.7500  plane waves:     208
 k-point ** :   0.4263 0.3237 0.7500  plane waves:     208
 k-point ** :   0.4231 0.3269 0.7500  plane waves:     206
 k-point ** :   0.4199 0.3301 0.7500  plane waves:     206
 k-point ** :   0.4167 0.3333 0.7500  plane waves:     205
 k-point ** :   0.4135 0.3365 0.7500  plane waves:     205
 k-point ** :   0.4103 0.3397 0.7500  plane waves:     209
 k-point ** :   0.4071 0.3429 0.7500  plane waves:     209
 k-point ** :   0.4038 0.3462 0.7500  plane waves:     209
 k-point ** :   0.4006 0.3494 0.7500  plane waves:     209
 k-point ** :   0.3974 0.3526 0.7500  plane waves:     209
 k-point ** :   0.3942 0.3558 0.7500  plane waves:     209
 k-point ** :   0.3910 0.3590 0.7500  plane waves:     208
 k-point ** :   0.3878 0.3622 0.7500  plane waves:     208
 k-point ** :   0.3846 0.3654 0.7500  plane waves:     208
 k-point ** :   0.3814 0.3686 0.7500  plane waves:     208
 k-point ** :   0.3782 0.3718 0.7500  plane waves:     208
 k-point ** :   0.3750 0.3750 0.7500  plane waves:     208
 k-point ** :   0.3750 0.3750 0.7500  plane waves:     208
 k-point ** :   0.3654 0.3654 0.7308  plane waves:     208
 k-point ** :   0.3558 0.3558 0.7115  plane waves:     216
 k-point ** :   0.3462 0.3462 0.6923  plane waves:     212
 k-point ** :   0.3365 0.3365 0.6731  plane waves:     212
 k-point ** :   0.3269 0.3269 0.6538  plane waves:     212
 k-point ** :   0.3173 0.3173 0.6346  plane waves:     212
 k-point ** :   0.3077 0.3077 0.6154  plane waves:     208
 k-point ** :   0.2981 0.2981 0.5962  plane waves:     208
 k-point ** :   0.2885 0.2885 0.5769  plane waves:     204
 k-point ** :   0.2788 0.2788 0.5577  plane waves:     204
 k-point ** :   0.2692 0.2692 0.5385  plane waves:     204
 k-point ** :   0.2596 0.2596 0.5192  plane waves:     204
 k-point ** :   0.2500 0.2500 0.5000  plane waves:     210
 k-point ** :   0.2404 0.2404 0.4808  plane waves:     210
 k-point ** :   0.2308 0.2308 0.4615  plane waves:     210
 k-point ** :   0.2212 0.2212 0.4423  plane waves:     210
 k-point ** :   0.2115 0.2115 0.4231  plane waves:     210
 k-point ** :   0.2019 0.2019 0.4038  plane waves:     208
 k-point ** :   0.1923 0.1923 0.3846  plane waves:     200
 k-point ** :   0.1827 0.1827 0.3654  plane waves:     200
 k-point ** :   0.1731 0.1731 0.3462  plane waves:     200
 k-point ** :   0.1635 0.1635 0.3269  plane waves:     200
 k-point ** :   0.1538 0.1538 0.3077  plane waves:     200
 k-point ** :   0.1442 0.1442 0.2885  plane waves:     200
 k-point ** :   0.1346 0.1346 0.2692  plane waves:     200
 k-point ** :   0.1250 0.1250 0.2500  plane waves:     200
 k-point ** :   0.1154 0.1154 0.2308  plane waves:     200
 k-point ** :   0.1058 0.1058 0.2115  plane waves:     200
 k-point ** :   0.0962 0.0962 0.1923  plane waves:     198
 k-point ** :   0.0865 0.0865 0.1731  plane waves:     198
 k-point ** :   0.0769 0.0769 0.1538  plane waves:     190
 k-point ** :   0.0673 0.0673 0.1346  plane waves:     188
 k-point ** :   0.0577 0.0577 0.1154  plane waves:     188
 k-point ** :   0.0481 0.0481 0.0962  plane waves:     185
 k-point ** :   0.0385 0.0385 0.0769  plane waves:     181
 k-point ** :   0.0288 0.0288 0.0577  plane waves:     181
 k-point ** :   0.0192 0.0192 0.0385  plane waves:     181
 k-point ** :   0.0096 0.0096 0.0192  plane waves:     181
 k-point ** :   0.0000 0.0000 0.0000  plane waves:     181
 k-point ** :   0.0000 0.0000 0.0000  plane waves:     181
 k-point ** :   0.0128 0.0128 0.0128  plane waves:     181
 k-point ** :   0.0256 0.0256 0.0256  plane waves:     181
 k-point ** :   0.0385 0.0385 0.0385  plane waves:     181
 k-point ** :   0.0513 0.0513 0.0513  plane waves:     181
 k-point ** :   0.0641 0.0641 0.0641  plane waves:     181
 k-point ** :   0.0769 0.0769 0.0769  plane waves:     187
 k-point ** :   0.0897 0.0897 0.0897  plane waves:     187
 k-point ** :   0.1026 0.1026 0.1026  plane waves:     193
 k-point ** :   0.1154 0.1154 0.1154  plane waves:     193
 k-point ** :   0.1282 0.1282 0.1282  plane waves:     193
 k-point ** :   0.1410 0.1410 0.1410  plane waves:     193
 k-point ** :   0.1538 0.1538 0.1538  plane waves:     193
 k-point ** :   0.1667 0.1667 0.1667  plane waves:     193
 k-point ** :   0.1795 0.1795 0.1795  plane waves:     193
 k-point ** :   0.1923 0.1923 0.1923  plane waves:     193
 k-point ** :   0.2051 0.2051 0.2051  plane waves:     199
 k-point ** :   0.2179 0.2179 0.2179  plane waves:     199
 k-point ** :   0.2308 0.2308 0.2308  plane waves:     199
 k-point ** :   0.2436 0.2436 0.2436  plane waves:     205
 k-point ** :   0.2564 0.2564 0.2564  plane waves:     205
 k-point ** :   0.2692 0.2692 0.2692  plane waves:     205
 k-point ** :   0.2821 0.2821 0.2821  plane waves:     205
 k-point ** :   0.2949 0.2949 0.2949  plane waves:     205
 k-point ** :   0.3077 0.3077 0.3077  plane waves:     205
 k-point ** :   0.3205 0.3205 0.3205  plane waves:     205
 k-point ** :   0.3333 0.3333 0.3333  plane waves:     205
 k-point ** :   0.3462 0.3462 0.3462  plane waves:     205
 k-point ** :   0.3590 0.3590 0.3590  plane waves:     204
 k-point ** :   0.3718 0.3718 0.3718  plane waves:     204
 k-point ** :   0.3846 0.3846 0.3846  plane waves:     204
 k-point ** :   0.3974 0.3974 0.3974  plane waves:     204
 k-point ** :   0.4103 0.4103 0.4103  plane waves:     204
 k-point ** :   0.4231 0.4231 0.4231  plane waves:     204
 k-point ** :   0.4359 0.4359 0.4359  plane waves:     210
 k-point ** :   0.4487 0.4487 0.4487  plane waves:     210
 k-point ** :   0.4615 0.4615 0.4615  plane waves:     210
 k-point ** :   0.4744 0.4744 0.4744  plane waves:     210
 k-point ** :   0.4872 0.4872 0.4872  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.5032 0.4936 0.5032  plane waves:     210
 k-point ** :   0.5064 0.4872 0.5064  plane waves:     210
 k-point ** :   0.5096 0.4808 0.5096  plane waves:     210
 k-point ** :   0.5128 0.4744 0.5128  plane waves:     210
 k-point ** :   0.5160 0.4679 0.5160  plane waves:     210
 k-point ** :   0.5192 0.4615 0.5192  plane waves:     212
 k-point ** :   0.5224 0.4551 0.5224  plane waves:     208
 k-point ** :   0.5256 0.4487 0.5256  plane waves:     206
 k-point ** :   0.5288 0.4423 0.5288  plane waves:     208
 k-point ** :   0.5321 0.4359 0.5321  plane waves:     206
 k-point ** :   0.5353 0.4295 0.5353  plane waves:     207
 k-point ** :   0.5385 0.4231 0.5385  plane waves:     207
 k-point ** :   0.5417 0.4167 0.5417  plane waves:     207
 k-point ** :   0.5449 0.4103 0.5449  plane waves:     207
 k-point ** :   0.5481 0.4038 0.5481  plane waves:     207
 k-point ** :   0.5513 0.3974 0.5513  plane waves:     207
 k-point ** :   0.5545 0.3910 0.5545  plane waves:     207
 k-point ** :   0.5577 0.3846 0.5577  plane waves:     208
 k-point ** :   0.5609 0.3782 0.5609  plane waves:     206
 k-point ** :   0.5641 0.3718 0.5641  plane waves:     206
 k-point ** :   0.5673 0.3654 0.5673  plane waves:     206
 k-point ** :   0.5705 0.3590 0.5705  plane waves:     206
 k-point ** :   0.5737 0.3526 0.5737  plane waves:     210
 k-point ** :   0.5769 0.3462 0.5769  plane waves:     210
 k-point ** :   0.5801 0.3397 0.5801  plane waves:     212
 k-point ** :   0.5833 0.3333 0.5833  plane waves:     212
 k-point ** :   0.5865 0.3269 0.5865  plane waves:     212
 k-point ** :   0.5897 0.3205 0.5897  plane waves:     212
 k-point ** :   0.5929 0.3141 0.5929  plane waves:     212
 k-point ** :   0.5962 0.3077 0.5962  plane waves:     210
 k-point ** :   0.5994 0.3013 0.5994  plane waves:     210
 k-point ** :   0.6026 0.2949 0.6026  plane waves:     210
 k-point ** :   0.6058 0.2885 0.6058  plane waves:     210
 k-point ** :   0.6090 0.2821 0.6090  plane waves:     210
 k-point ** :   0.6122 0.2756 0.6122  plane waves:     210
 k-point ** :   0.6154 0.2692 0.6154  plane waves:     210
 k-point ** :   0.6186 0.2628 0.6186  plane waves:     208
 k-point ** :   0.6218 0.2564 0.6218  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.6218 0.2500 0.6282  plane waves:     208
 k-point ** :   0.6186 0.2500 0.6314  plane waves:     208
 k-point ** :   0.6154 0.2500 0.6346  plane waves:     208
 k-point ** :   0.6122 0.2500 0.6378  plane waves:     208
 k-point ** :   0.6090 0.2500 0.6410  plane waves:     208
 k-point ** :   0.6058 0.2500 0.6442  plane waves:     209
 k-point ** :   0.6026 0.2500 0.6474  plane waves:     209
 k-point ** :   0.5994 0.2500 0.6506  plane waves:     209
 k-point ** :   0.5962 0.2500 0.6538  plane waves:     209
 k-point ** :   0.5929 0.2500 0.6571  plane waves:     209
 k-point ** :   0.5897 0.2500 0.6603  plane waves:     209
 k-point ** :   0.5865 0.2500 0.6635  plane waves:     205
 k-point ** :   0.5833 0.2500 0.6667  plane waves:     205
 k-point ** :   0.5801 0.2500 0.6699  plane waves:     206
 k-point ** :   0.5769 0.2500 0.6731  plane waves:     206
 k-point ** :   0.5737 0.2500 0.6763  plane waves:     208
 k-point ** :   0.5705 0.2500 0.6795  plane waves:     208
 k-point ** :   0.5673 0.2500 0.6827  plane waves:     208
 k-point ** :   0.5641 0.2500 0.6859  plane waves:     208
 k-point ** :   0.5609 0.2500 0.6891  plane waves:     208
 k-point ** :   0.5577 0.2500 0.6923  plane waves:     206
 k-point ** :   0.5545 0.2500 0.6955  plane waves:     206
 k-point ** :   0.5513 0.2500 0.6987  plane waves:     206
 k-point ** :   0.5481 0.2500 0.7019  plane waves:     206
 k-point ** :   0.5449 0.2500 0.7051  plane waves:     206
 k-point ** :   0.5417 0.2500 0.7083  plane waves:     206
 k-point ** :   0.5385 0.2500 0.7115  plane waves:     206
 k-point ** :   0.5353 0.2500 0.7147  plane waves:     206
 k-point ** :   0.5321 0.2500 0.7179  plane waves:     206
 k-point ** :   0.5288 0.2500 0.7212  plane waves:     206
 k-point ** :   0.5256 0.2500 0.7244  plane waves:     206
 k-point ** :   0.5224 0.2500 0.7276  plane waves:     206
 k-point ** :   0.5192 0.2500 0.7308  plane waves:     206
 k-point ** :   0.5160 0.2500 0.7340  plane waves:     208
 k-point ** :   0.5128 0.2500 0.7372  plane waves:     208
 k-point ** :   0.5096 0.2500 0.7404  plane waves:     208
 k-point ** :   0.5064 0.2500 0.7436  plane waves:     208
 k-point ** :   0.5032 0.2500 0.7468  plane waves:     208
 k-point ** :   0.5000 0.2500 0.7500  plane waves:     208
 k-point ** :   0.5000 0.2500 0.7500  plane waves:     208
 k-point ** :   0.5000 0.2564 0.7436  plane waves:     208
 k-point ** :   0.5000 0.2628 0.7372  plane waves:     208
 k-point ** :   0.5000 0.2692 0.7308  plane waves:     208
 k-point ** :   0.5000 0.2756 0.7244  plane waves:     206
 k-point ** :   0.5000 0.2821 0.7179  plane waves:     206
 k-point ** :   0.5000 0.2885 0.7115  plane waves:     206
 k-point ** :   0.5000 0.2949 0.7051  plane waves:     206
 k-point ** :   0.5000 0.3013 0.6987  plane waves:     206
 k-point ** :   0.5000 0.3077 0.6923  plane waves:     208
 k-point ** :   0.5000 0.3141 0.6859  plane waves:     208
 k-point ** :   0.5000 0.3205 0.6795  plane waves:     208
 k-point ** :   0.5000 0.3269 0.6731  plane waves:     208
 k-point ** :   0.5000 0.3333 0.6667  plane waves:     208
 k-point ** :   0.5000 0.3397 0.6603  plane waves:     204
 k-point ** :   0.5000 0.3462 0.6538  plane waves:     204
 k-point ** :   0.5000 0.3526 0.6474  plane waves:     202
 k-point ** :   0.5000 0.3590 0.6410  plane waves:     202
 k-point ** :   0.5000 0.3654 0.6346  plane waves:     202
 k-point ** :   0.5000 0.3718 0.6282  plane waves:     200
 k-point ** :   0.5000 0.3782 0.6218  plane waves:     200
 k-point ** :   0.5000 0.3846 0.6154  plane waves:     204
 k-point ** :   0.5000 0.3910 0.6090  plane waves:     208
 k-point ** :   0.5000 0.3974 0.6026  plane waves:     208
 k-point ** :   0.5000 0.4038 0.5962  plane waves:     206
 k-point ** :   0.5000 0.4103 0.5897  plane waves:     206
 k-point ** :   0.5000 0.4167 0.5833  plane waves:     206
 k-point ** :   0.5000 0.4231 0.5769  plane waves:     206
 k-point ** :   0.5000 0.4295 0.5705  plane waves:     206
 k-point ** :   0.5000 0.4359 0.5641  plane waves:     204
 k-point ** :   0.5000 0.4423 0.5577  plane waves:     210
 k-point ** :   0.5000 0.4487 0.5513  plane waves:     210
 k-point ** :   0.5000 0.4551 0.5449  plane waves:     210
 k-point ** :   0.5000 0.4615 0.5385  plane waves:     210
 k-point ** :   0.5000 0.4679 0.5321  plane waves:     210
 k-point ** :   0.5000 0.4744 0.5256  plane waves:     210
 k-point ** :   0.5000 0.4808 0.5192  plane waves:     210
 k-point ** :   0.5000 0.4872 0.5128  plane waves:     210
 k-point ** :   0.5000 0.4936 0.5064  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.4968 0.4968 0.5064  plane waves:     210
 k-point ** :   0.4936 0.4936 0.5128  plane waves:     210
 k-point ** :   0.4904 0.4904 0.5192  plane waves:     210
 k-point ** :   0.4872 0.4872 0.5256  plane waves:     210
 k-point ** :   0.4840 0.4840 0.5321  plane waves:     210
 k-point ** :   0.4808 0.4808 0.5385  plane waves:     212
 k-point ** :   0.4776 0.4776 0.5449  plane waves:     208
 k-point ** :   0.4744 0.4744 0.5513  plane waves:     206
 k-point ** :   0.4712 0.4712 0.5577  plane waves:     208
 k-point ** :   0.4679 0.4679 0.5641  plane waves:     206
 k-point ** :   0.4647 0.4647 0.5705  plane waves:     207
 k-point ** :   0.4615 0.4615 0.5769  plane waves:     207
 k-point ** :   0.4583 0.4583 0.5833  plane waves:     207
 k-point ** :   0.4551 0.4551 0.5897  plane waves:     207
 k-point ** :   0.4519 0.4519 0.5962  plane waves:     207
 k-point ** :   0.4487 0.4487 0.6026  plane waves:     207
 k-point ** :   0.4455 0.4455 0.6090  plane waves:     207
 k-point ** :   0.4423 0.4423 0.6154  plane waves:     208
 k-point ** :   0.4391 0.4391 0.6218  plane waves:     206
 k-point ** :   0.4359 0.4359 0.6282  plane waves:     206
 k-point ** :   0.4327 0.4327 0.6346  plane waves:     206
 k-point ** :   0.4295 0.4295 0.6410  plane waves:     206
 k-point ** :   0.4263 0.4263 0.6474  plane waves:     210
 k-point ** :   0.4231 0.4231 0.6538  plane waves:     210
 k-point ** :   0.4199 0.4199 0.6603  plane waves:     212
 k-point ** :   0.4167 0.4167 0.6667  plane waves:     212
 k-point ** :   0.4135 0.4135 0.6731  plane waves:     212
 k-point ** :   0.4103 0.4103 0.6795  plane waves:     212
 k-point ** :   0.4071 0.4071 0.6859  plane waves:     212
 k-point ** :   0.4038 0.4038 0.6923  plane waves:     210
 k-point ** :   0.4006 0.4006 0.6987  plane waves:     210
 k-point ** :   0.3974 0.3974 0.7051  plane waves:     210
 k-point ** :   0.3942 0.3942 0.7115  plane waves:     210
 k-point ** :   0.3910 0.3910 0.7179  plane waves:     210
 k-point ** :   0.3878 0.3878 0.7244  plane waves:     210
 k-point ** :   0.3846 0.3846 0.7308  plane waves:     210
 k-point ** :   0.3814 0.3814 0.7372  plane waves:     208
 k-point ** :   0.3782 0.3782 0.7436  plane waves:     208
 k-point ** :   0.3750 0.3750 0.7500  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.6218 0.2436 0.6218  plane waves:     208
 k-point ** :   0.6186 0.2372 0.6186  plane waves:     208
 k-point ** :   0.6154 0.2308 0.6154  plane waves:     208
 k-point ** :   0.6122 0.2244 0.6122  plane waves:     208
 k-point ** :   0.6090 0.2179 0.6090  plane waves:     208
 k-point ** :   0.6058 0.2115 0.6058  plane waves:     208
 k-point ** :   0.6026 0.2051 0.6026  plane waves:     208
 k-point ** :   0.5994 0.1987 0.5994  plane waves:     208
 k-point ** :   0.5962 0.1923 0.5962  plane waves:     208
 k-point ** :   0.5929 0.1859 0.5929  plane waves:     208
 k-point ** :   0.5897 0.1795 0.5897  plane waves:     208
 k-point ** :   0.5865 0.1731 0.5865  plane waves:     208
 k-point ** :   0.5833 0.1667 0.5833  plane waves:     208
 k-point ** :   0.5801 0.1603 0.5801  plane waves:     208
 k-point ** :   0.5769 0.1538 0.5769  plane waves:     208
 k-point ** :   0.5737 0.1474 0.5737  plane waves:     208
 k-point ** :   0.5705 0.1410 0.5705  plane waves:     208
 k-point ** :   0.5673 0.1346 0.5673  plane waves:     208
 k-point ** :   0.5641 0.1282 0.5641  plane waves:     208
 k-point ** :   0.5609 0.1218 0.5609  plane waves:     208
 k-point ** :   0.5577 0.1154 0.5577  plane waves:     208
 k-point ** :   0.5545 0.1090 0.5545  plane waves:     208
 k-point ** :   0.5513 0.1026 0.5513  plane waves:     208
 k-point ** :   0.5481 0.0962 0.5481  plane waves:     208
 k-point ** :   0.5449 0.0897 0.5449  plane waves:     210
 k-point ** :   0.5417 0.0833 0.5417  plane waves:     210
 k-point ** :   0.5385 0.0769 0.5385  plane waves:     210
 k-point ** :   0.5353 0.0705 0.5353  plane waves:     210
 k-point ** :   0.5321 0.0641 0.5321  plane waves:     208
 k-point ** :   0.5288 0.0577 0.5288  plane waves:     208
 k-point ** :   0.5256 0.0513 0.5256  plane waves:     208
 k-point ** :   0.5224 0.0449 0.5224  plane waves:     210
 k-point ** :   0.5192 0.0385 0.5192  plane waves:     210
 k-point ** :   0.5160 0.0321 0.5160  plane waves:     210
 k-point ** :   0.5128 0.0256 0.5128  plane waves:     210
 k-point ** :   0.5096 0.0192 0.5096  plane waves:     208
 k-point ** :   0.5064 0.0128 0.5064  plane waves:     206
 k-point ** :   0.5032 0.0064 0.5032  plane waves:     206
 k-point ** :   0.5000 0.0000 0.5000  plane waves:     206

 maximum and minimum number of plane-waves per node :        58       42

 maximum number of plane-waves:       216
 maximum index in each direction: 
   IXMAX=    4   IYMAX=    4   IZMAX=    4
   IXMIN=   -4   IYMIN=   -4   IZMIN=   -4

 WARNING: aliasing errors must be expected set NGX to  18 to avoid them
 WARNING: aliasing errors must be expected set NGY to  18 to avoid them
 WARNING: aliasing errors must be expected set NGZ to  18 to avoid them
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

 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    32915. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       1435. kBytes
   fftplans  :        105. kBytes
   grid      :        144. kBytes
   one-center:          3. kBytes
   wavefun   :       1228. kBytes
 
     INWAV:  cpu time    0.1960: real time    0.2296
 initial charge density was supplied:
 number of electron       7.9999996 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          283 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.790
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0016


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


    POTLOK:  cpu time    0.0029: real time    0.0029
    SETDIJ:  cpu time    0.0020: real time    0.0020
     EDDAV:  cpu time    1.9633: real time    1.9625
       DOS:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time    1.9727: real time    1.9867

 eigenvalue-minimisations  : 11460
 total energy-change (2. order) :-0.1285183E+02  (-0.1028556E+03)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.08573993
  Ewald energy   TEWEN  =      -348.44165189
  -Hartree energ DENC   =       -26.31348749
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23699869
  PAW double counting   =       793.33945271     -794.66116227
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        11.64782878
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -12.85183380 eV

  energy without entropy =      -12.85183380  energy(sigma->0) =      -12.85183380


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




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


     EDDAV:  cpu time    1.9495: real time    1.9485
       DOS:  cpu time    0.0022: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time    1.9530: real time    1.9547

 eigenvalue-minimisations  : 11276
 total energy-change (2. order) :-0.5927304E+01  (-0.5799154E+01)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.08573993
  Ewald energy   TEWEN  =      -348.44165189
  -Hartree energ DENC   =       -26.31348749
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23699869
  PAW double counting   =       793.33945271     -794.66116227
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         5.72052519
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.77913738 eV

  energy without entropy =      -18.77913738  energy(sigma->0) =      -18.77913738


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




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


     EDDAV:  cpu time    1.8427: real time    1.8418
       DOS:  cpu time    0.0024: real time    0.0024
    --------------------------------------------
      LOOP:  cpu time    1.8464: real time    1.8467

 eigenvalue-minimisations  : 10448
 total energy-change (2. order) :-0.3754804E-01  (-0.3754599E-01)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.08573993
  Ewald energy   TEWEN  =      -348.44165189
  -Hartree energ DENC   =       -26.31348749
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23699869
  PAW double counting   =       793.33945271     -794.66116227
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         5.68297715
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.81668542 eV

  energy without entropy =      -18.81668542  energy(sigma->0) =      -18.81668542


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




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


     EDDAV:  cpu time    1.8576: real time    1.8566
       DOS:  cpu time    0.0025: real time    0.0025
    --------------------------------------------
      LOOP:  cpu time    1.8613: real time    1.8616

 eigenvalue-minimisations  : 10588
 total energy-change (2. order) :-0.2083431E-04  (-0.2083429E-04)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.08573993
  Ewald energy   TEWEN  =      -348.44165189
  -Hartree energ DENC   =       -26.31348749
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23699869
  PAW double counting   =       793.33945271     -794.66116227
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         5.68295632
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.81670626 eV

  energy without entropy =      -18.81670626  energy(sigma->0) =      -18.81670626


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991
  (the norm of the test charge is              1.0000)
       1 -45.3482       2 -45.3482
 
 
 
 E-fermi :  10.8500     XC(G=0): -13.2715     alpha+bet :-17.7431


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7467      2.00000
      2       9.8097      2.00000
      3       9.8097      2.00000
      4       9.8097      2.00000
      5      15.4095      0.00000
      6      15.4095      0.00000
      7      15.4095      0.00000
      8      23.2074      0.00000
      9      29.1383      0.00000
     10      36.3771      0.00000
     11      36.3772      0.00000
     12      37.3998      0.00000

 k-point     2 :       0.0128    0.0000    0.0128
  band No.  band energies     occupation 
      1     -11.7406      2.00000
      2       9.7832      2.00000
      3       9.7832      2.00000
      4       9.7945      2.00000
      5      15.4045      0.00000
      6      15.4414      0.00000
      7      15.4414      0.00000
      8      23.2129      0.00000
      9      29.1496      0.00000
     10      35.9828      0.00000
     11      36.3849      0.00000
     12      37.4141      0.00000

 k-point     3 :       0.0256    0.0000    0.0256
  band No.  band energies     occupation 
      1     -11.7224      2.00000
      2       9.7055      2.00000
      3       9.7055      2.00000
      4       9.7492      2.00000
      5      15.3897      0.00000
      6      15.5352      0.00000
      7      15.5352      0.00000
      8      23.2285      0.00000
      9      29.1830      0.00000
     10      35.3069      0.00000
     11      36.4080      0.00000
     12      37.4570      0.00000

 k-point     4 :       0.0385    0.0000    0.0385
  band No.  band energies     occupation 
      1     -11.6919      2.00000
      2       9.5818      2.00000
      3       9.5818      2.00000
      4       9.6743      2.00000
      5      15.3653      0.00000
      6      15.6859      0.00000
      7      15.6859      0.00000
      8      23.2524      0.00000
      9      29.2384      0.00000
     10      34.5930      0.00000
     11      36.4466      0.00000
     12      37.5284      0.00000

 k-point     5 :       0.0513    0.0000    0.0513
  band No.  band energies     occupation 
      1     -11.6493      2.00000
      2       9.4190      2.00000
      3       9.4190      2.00000
      4       9.5707      2.00000
      5      15.3318      0.00000
      6      15.8863      0.00000
      7      15.8863      0.00000
      8      23.2811      0.00000
      9      29.3150      0.00000
     10      33.8835      0.00000
     11      36.5006      0.00000
     12      37.6284      0.00000

 k-point     6 :       0.0641    0.0000    0.0641
  band No.  band energies     occupation 
      1     -11.5945      2.00000
      2       9.2240      2.00000
      3       9.2240      2.00000
      4       9.4318      2.00000
      5      15.2808      0.00000
      6      16.1259      0.00000
      7      16.1259      0.00000
      8      23.3049      0.00000
      9      29.4073      0.00000
     10      33.1924      0.00000
     11      36.5700      0.00000
     12      37.7560      0.00000

 k-point     7 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1     -11.5276      2.00000
      2       9.0057      2.00000
      3       9.0057      2.00000
      4       9.2739      2.00000
      5      15.2307      0.00000
      6      16.4026      0.00000
      7      16.4026      0.00000
      8      23.3256      0.00000
      9      29.5221      0.00000
     10      32.5382      0.00000
     11      36.6548      0.00000
     12      37.9127      0.00000

 k-point     8 :       0.0897    0.0000    0.0897
  band No.  band energies     occupation 
      1     -11.4486      2.00000
      2       8.7696      2.00000
      3       8.7696      2.00000
      4       9.0910      2.00000
      5      15.1735      0.00000
      6      16.7074      0.00000
      7      16.7074      0.00000
      8      23.3316      0.00000
      9      29.6546      0.00000
     10      31.9279      0.00000
     11      36.7551      0.00000
     12      38.0975      0.00000

 k-point     9 :       0.1026    0.0000    0.1026
  band No.  band energies     occupation 
      1     -11.3575      2.00000
      2       8.5211      2.00000
      3       8.5211      2.00000
      4       8.8816      2.00000
      5      15.1101      0.00000
      6      17.0350      0.00000
      7      17.0350      0.00000
      8      23.3113      0.00000
      9      29.8034      0.00000
     10      31.3708      0.00000
     11      36.8708      0.00000
     12      38.3101      0.00000

 k-point    10 :       0.1154    0.0000    0.1154
  band No.  band energies     occupation 
      1     -11.2544      2.00000
      2       8.2616      2.00000
      3       8.2616      2.00000
      4       8.6523      2.00000
      5      15.0472      0.00000
      6      17.3768      0.00000
      7      17.3768      0.00000
      8      23.2560      0.00000
      9      29.9651      0.00000
     10      30.8792      0.00000
     11      37.0004      0.00000
     12      38.5495      0.00000

 k-point    11 :       0.1282    0.0000    0.1282
  band No.  band energies     occupation 
      1     -11.1392      2.00000
      2       8.0003      2.00000
      3       8.0003      2.00000
      4       8.4038      2.00000
      5      14.9738      0.00000
      6      17.7361      0.00000
      7      17.7361      0.00000
      8      23.1605      0.00000
      9      30.1416      0.00000
     10      30.4619      0.00000
     11      37.1470      0.00000
     12      38.8171      0.00000

 k-point    12 :       0.1410    0.0000    0.1410
  band No.  band energies     occupation 
      1     -11.0120      2.00000
      2       7.7372      2.00000
      3       7.7372      2.00000
      4       8.1364      2.00000
      5      14.8972      0.00000
      6      18.1070      0.00000
      7      18.1070      0.00000
      8      23.0139      0.00000
      9      30.1257      0.00000
     10      30.3294      0.00000
     11      37.3089      0.00000
     12      39.1115      0.00000

 k-point    13 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
      1     -10.8730      2.00000
      2       7.4699      2.00000
      3       7.4699      2.00000
      4       7.8457      2.00000
      5      14.8180      0.00000
      6      18.4846      0.00000
      7      18.4846      0.00000
      8      22.8023      0.00000
      9      29.8694      0.00000
     10      30.5260      0.00000
     11      37.4859      0.00000
     12      39.4299      0.00000

 k-point    14 :       0.1667    0.0000    0.1667
  band No.  band energies     occupation 
      1     -10.7220      2.00000
      2       7.2094      2.00000
      3       7.2094      2.00000
      4       7.5446      2.00000
      5      14.7379      0.00000
      6      18.8713      0.00000
      7      18.8713      0.00000
      8      22.5455      0.00000
      9      29.6987      0.00000
     10      30.7303      0.00000
     11      37.6787      0.00000
     12      39.7757      0.00000

 k-point    15 :       0.1795    0.0000    0.1795
  band No.  band energies     occupation 
      1     -10.5592      2.00000
      2       6.9526      2.00000
      3       6.9526      2.00000
      4       7.2283      2.00000
      5      14.6574      0.00000
      6      19.2633      0.00000
      7      19.2633      0.00000
      8      22.2390      0.00000
      9      29.6045      0.00000
     10      30.9400      0.00000
     11      37.8869      0.00000
     12      40.1458      0.00000

 k-point    16 :       0.1923    0.0000    0.1923
  band No.  band energies     occupation 
      1     -10.3847      2.00000
      2       6.7007      2.00000
      3       6.7007      2.00000
      4       6.8980      2.00000
      5      14.5774      0.00000
      6      19.6592      0.00000
      7      19.6592      0.00000
      8      21.8911      0.00000
      9      29.5776      0.00000
     10      31.1530      0.00000
     11      38.1106      0.00000
     12      40.5389      0.00000

 k-point    17 :       0.2051    0.0000    0.2051
  band No.  band energies     occupation 
      1     -10.1984      2.00000
      2       6.4547      2.00000
      3       6.4547      2.00000
      4       6.5547      2.00000
      5      14.4989      0.00000
      6      20.0577      0.00000
      7      20.0577      0.00000
      8      21.5116      0.00000
      9      29.6071      0.00000
     10      31.3671      0.00000
     11      38.3497      0.00000
     12      40.9532      0.00000

 k-point    18 :       0.2179    0.0000    0.2179
  band No.  band energies     occupation 
      1     -10.0005      2.00000
      2       6.1993      2.00000
      3       6.2154      2.00000
      4       6.2154      2.00000
      5      14.4227      0.00000
      6      20.4576      0.00000
      7      20.4576      0.00000
      8      21.1103      0.00000
      9      29.6821      0.00000
     10      31.5804      0.00000
     11      38.6040      0.00000
     12      41.3862      0.00000

 k-point    19 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1      -9.7912      2.00000
      2       5.8326      2.00000
      3       5.9836      2.00000
      4       5.9836      2.00000
      5      14.3495      0.00000
      6      20.6960      0.00000
      7      20.8578      0.00000
      8      20.8578      0.00000
      9      29.7927      0.00000
     10      31.7908      0.00000
     11      38.8739      0.00000
     12      41.8346      0.00000

 k-point    20 :       0.2436    0.0000    0.2436
  band No.  band energies     occupation 
      1      -9.5703      2.00000
      2       5.4556      2.00000
      3       5.7600      2.00000
      4       5.7600      2.00000
      5      14.2800      0.00000
      6      20.2761      0.00000
      7      21.2572      0.00000
      8      21.2572      0.00000
      9      29.9304      0.00000
     10      31.9964      0.00000
     11      39.1598      0.00000
     12      42.2936      0.00000

 k-point    21 :       0.2564    0.0000    0.2564
  band No.  band energies     occupation 
      1      -9.3382      2.00000
      2       5.0690      2.00000
      3       5.5449      2.00000
      4       5.5449      2.00000
      5      14.2151      0.00000
      6      19.8565      0.00000
      7      21.6549      0.00000
      8      21.6549      0.00000
      9      30.0882      0.00000
     10      32.1951      0.00000
     11      39.4606      0.00000
     12      42.7561      0.00000

 k-point    22 :       0.2692    0.0000    0.2692
  band No.  band energies     occupation 
      1      -9.0948      2.00000
      2       4.6736      2.00000
      3       5.3389      2.00000
      4       5.3389      2.00000
      5      14.1553      0.00000
      6      19.4421      0.00000
      7      22.0498      0.00000
      8      22.0498      0.00000
      9      30.2605      0.00000
     10      32.3851      0.00000
     11      39.7759      0.00000
     12      43.2117      0.00000

 k-point    23 :       0.2821    0.0000    0.2821
  band No.  band energies     occupation 
      1      -8.8404      2.00000
      2       4.2703      2.00000
      3       5.1422      2.00000
      4       5.1422      2.00000
      5      14.0980      0.00000
      6      19.0365      0.00000
      7      22.4395      0.00000
      8      22.4395      0.00000
      9      30.4427      0.00000
     10      32.5219      0.00000
     11      40.1074      0.00000
     12      43.6431      0.00000

 k-point    24 :       0.2949    0.0000    0.2949
  band No.  band energies     occupation 
      1      -8.5749      2.00000
      2       3.8599      2.00000
      3       4.9554      2.00000
      4       4.9554      2.00000
      5      14.0504      0.00000
      6      18.6424      0.00000
      7      22.8252      0.00000
      8      22.8252      0.00000
      9      30.6312      0.00000
     10      32.6847      0.00000
     11      40.4543      0.00000
     12      44.0292      0.00000

 k-point    25 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1      -8.2987      2.00000
      2       3.4432      2.00000
      3       4.7788      2.00000
      4       4.7788      2.00000
      5      14.0097      0.00000
      6      18.2619      0.00000
      7      23.2046      0.00000
      8      23.2046      0.00000
      9      30.8231      0.00000
     10      32.8338      0.00000
     11      40.8165      0.00000
     12      44.3373      0.00000

 k-point    26 :       0.3205    0.0000    0.3205
  band No.  band energies     occupation 
      1      -8.0117      2.00000
      2       3.0225      2.00000
      3       4.6126      2.00000
      4       4.6126      2.00000
      5      13.9802      0.00000
      6      17.8968      0.00000
      7      23.5781      0.00000
      8      23.5781      0.00000
      9      31.0299      0.00000
     10      32.9900      0.00000
     11      41.1942      0.00000
     12      44.5341      0.00000

 k-point    27 :       0.3333    0.0000    0.3333
  band No.  band energies     occupation 
      1      -7.7143      2.00000
      2       2.5953      2.00000
      3       4.4569      2.00000
      4       4.4569      2.00000
      5      13.9545      0.00000
      6      17.5476      0.00000
      7      23.9403      0.00000
      8      23.9403      0.00000
      9      31.2221      0.00000
     10      33.1084      0.00000
     11      41.5874      0.00000
     12      44.5962      0.00000

 k-point    28 :       0.3462    0.0000    0.3462
  band No.  band energies     occupation 
      1      -7.4067      2.00000
      2       2.1643      2.00000
      3       4.3101      2.00000
      4       4.3101      2.00000
      5      13.9368      0.00000
      6      17.2153      0.00000
      7      24.2837      0.00000
      8      24.2837      0.00000
      9      31.4065      0.00000
     10      33.2100      0.00000
     11      41.9967      0.00000
     12      44.5296      0.00000

 k-point    29 :       0.3590    0.0000    0.3590
  band No.  band energies     occupation 
      1      -7.0890      2.00000
      2       1.7304      2.00000
      3       4.1763      2.00000
      4       4.1763      2.00000
      5      13.9285      0.00000
      6      16.9004      0.00000
      7      24.6213      0.00000
      8      24.6213      0.00000
      9      31.5928      0.00000
     10      33.2947      0.00000
     11      42.4204      0.00000
     12      44.3634      0.00000

 k-point    30 :       0.3718    0.0000    0.3718
  band No.  band energies     occupation 
      1      -6.7614      2.00000
      2       1.2943      2.00000
      3       4.0536      2.00000
      4       4.0536      2.00000
      5      13.9297      0.00000
      6      16.6031      0.00000
      7      24.9436      0.00000
      8      24.9436      0.00000
      9      31.7746      0.00000
     10      33.3620      0.00000
     11      42.8589      0.00000
     12      44.1327      0.00000

 k-point    31 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1      -6.4242      2.00000
      2       0.8570      2.00000
      3       3.9423      2.00000
      4       3.9423      2.00000
      5      13.9408      0.00000
      6      16.3234      0.00000
      7      25.2483      0.00000
      8      25.2484      0.00000
      9      31.9511      0.00000
     10      33.4119      0.00000
     11      43.3141      0.00000
     12      43.8679      0.00000

 k-point    32 :       0.3974    0.0000    0.3974
  band No.  band energies     occupation 
      1      -6.0776      2.00000
      2       0.4193      2.00000
      3       3.8423      2.00000
      4       3.8423      2.00000
      5      13.9621      0.00000
      6      16.0613      0.00000
      7      25.5328      0.00000
      8      25.5328      0.00000
      9      32.1216      0.00000
     10      33.4445      0.00000
     11      43.5915      0.00000
     12      43.5989      0.00000

 k-point    33 :       0.4103    0.0000    0.4103
  band No.  band energies     occupation 
      1      -5.7220      2.00000
      2      -0.0181      2.00000
      3       3.7539      2.00000
      4       3.7539      2.00000
      5      13.9942      0.00000
      6      15.8165      0.00000
      7      25.7941      0.00000
      8      25.7941      0.00000
      9      32.2856      0.00000
     10      33.4602      0.00000
     11      43.3197      0.00000
     12      43.3215      0.00000

 k-point    34 :       0.4231    0.0000    0.4231
  band No.  band energies     occupation 
      1      -5.3576      2.00000
      2      -0.4543      2.00000
      3       3.6771      2.00000
      4       3.6771      2.00000
      5      14.0375      0.00000
      6      15.5888      0.00000
      7      26.0292      0.00000
      8      26.0292      0.00000
      9      32.4423      0.00000
     10      33.4593      0.00000
     11      43.0645      0.00000
     12      43.0713      0.00000

 k-point    35 :       0.4359    0.0000    0.4359
  band No.  band energies     occupation 
      1      -4.9848      2.00000
      2      -0.8886      2.00000
      3       3.6121      2.00000
      4       3.6121      2.00000
      5      14.0923      0.00000
      6      15.3779      0.00000
      7      26.2351      0.00000
      8      26.2351      0.00000
      9      32.5913      0.00000
     10      33.4425      0.00000
     11      42.8347      0.00000
     12      42.8477      0.00000

 k-point    36 :       0.4487    0.0000    0.4487
  band No.  band energies     occupation 
      1      -4.6040      2.00000
      2      -1.3203      2.00000
      3       3.5588      2.00000
      4       3.5588      2.00000
      5      14.1592      0.00000
      6      15.1834      0.00000
      7      26.4088      0.00000
      8      26.4088      0.00000
      9      32.7320      0.00000
     10      33.4105      0.00000
     11      42.6375      0.00000
     12      42.6486      0.00000

 k-point    37 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1      -4.2155      2.00000
      2      -1.7487      2.00000
      3       3.5172      2.00000
      4       3.5172      2.00000
      5      14.2385      0.00000
      6      15.0049      0.00000
      7      26.5474      0.00000
      8      26.5474      0.00000
      9      32.8639      0.00000
     10      33.3639      0.00000
     11      42.4784      0.00000
     12      42.4790      0.00000

 k-point    38 :       0.4744    0.0000    0.4744
  band No.  band energies     occupation 
      1      -3.8198      2.00000
      2      -2.1741      2.00000
      3       3.4874      2.00000
      4       3.4874      2.00000
      5      14.3308      0.00000
      6      14.8374      0.00000
      7      26.6450      0.00000
      8      26.6450      0.00000
      9      32.9420      0.00000
     10      33.3032      0.00000
     11      42.3617      0.00000
     12      42.3675      0.00000

 k-point    39 :       0.4872    0.0000    0.4872
  band No.  band energies     occupation 
      1      -3.4171      2.00000
      2      -2.5937      2.00000
      3       3.4709      2.00000
      4       3.4709      2.00000
      5      14.4370      0.00000
      6      14.6898      0.00000
      7      26.7063      0.00000
      8      26.7063      0.00000
      9      33.0591      0.00000
     10      33.2435      0.00000
     11      42.2960      0.00000
     12      42.2961      0.00000

 k-point    40 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0083      2.00000
      2      -3.0083      2.00000
      3       3.4649      2.00000
      4       3.4649      2.00000
      5      14.5563      0.00000
      6      14.5563      0.00000
      7      26.7268      0.00000
      8      26.7268      0.00000
      9      33.1571      0.00000
     10      33.1571      0.00000
     11      42.2720      0.00000
     12      42.2721      0.00000

 k-point    41 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0083      2.00000
      2      -3.0083      2.00000
      3       3.4649      2.00000
      4       3.4649      2.00000
      5      14.5563      0.00000
      6      14.5563      0.00000
      7      26.7268      0.00000
      8      26.7268      0.00000
      9      33.1571      0.00000
     10      33.1571      0.00000
     11      42.2720      0.00000
     12      42.2720      0.00000

 k-point    42 :       0.5000    0.0064    0.5064
  band No.  band energies     occupation 
      1      -3.0073      2.00000
      2      -3.0073      2.00000
      3       3.4615      2.00000
      4       3.4615      2.00000
      5      14.5626      0.00000
      6      14.5626      0.00000
      7      26.7239      0.00000
      8      26.7239      0.00000
      9      33.1531      0.00000
     10      33.1531      0.00000
     11      42.2644      0.00000
     12      42.2703      0.00000

 k-point    43 :       0.5000    0.0128    0.5128
  band No.  band energies     occupation 
      1      -3.0044      2.00000
      2      -3.0044      2.00000
      3       3.4511      2.00000
      4       3.4511      2.00000
      5      14.5817      0.00000
      6      14.5817      0.00000
      7      26.7150      0.00000
      8      26.7150      0.00000
      9      33.1412      0.00000
     10      33.1412      0.00000
     11      42.2421      0.00000
     12      42.2436      0.00000

 k-point    44 :       0.5000    0.0192    0.5192
  band No.  band energies     occupation 
      1      -2.9995      2.00000
      2      -2.9995      2.00000
      3       3.4338      2.00000
      4       3.4338      2.00000
      5      14.6133      0.00000
      6      14.6133      0.00000
      7      26.6880      0.00000
      8      26.6880      0.00000
      9      33.1214      0.00000
     10      33.1214      0.00000
     11      42.2048      0.00000
     12      42.2105      0.00000

 k-point    45 :       0.5000    0.0256    0.5256
  band No.  band energies     occupation 
      1      -2.9928      2.00000
      2      -2.9928      2.00000
      3       3.4087      2.00000
      4       3.4087      2.00000
      5      14.6567      0.00000
      6      14.6567      0.00000
      7      26.6549      0.00000
      8      26.6549      0.00000
      9      33.0823      0.00000
     10      33.0823      0.00000
     11      42.1493      0.00000
     12      42.1522      0.00000

 k-point    46 :       0.5000    0.0321    0.5321
  band No.  band energies     occupation 
      1      -2.9841      2.00000
      2      -2.9841      2.00000
      3       3.3784      2.00000
      4       3.3784      2.00000
      5      14.7131      0.00000
      6      14.7131      0.00000
      7      26.6276      0.00000
      8      26.6276      0.00000
      9      33.0473      0.00000
     10      33.0473      0.00000
     11      42.0890      0.00000
     12      42.0894      0.00000

 k-point    47 :       0.5000    0.0385    0.5385
  band No.  band energies     occupation 
      1      -2.9734      2.00000
      2      -2.9734      2.00000
      3       3.3419      2.00000
      4       3.3419      2.00000
      5      14.7815      0.00000
      6      14.7815      0.00000
      7      26.5941      0.00000
      8      26.5941      0.00000
      9      33.0053      0.00000
     10      33.0053      0.00000
     11      42.0196      0.00000
     12      42.0209      0.00000

 k-point    48 :       0.5000    0.0449    0.5449
  band No.  band energies     occupation 
      1      -2.9608      2.00000
      2      -2.9608      2.00000
      3       3.2996      2.00000
      4       3.2996      2.00000
      5      14.8615      0.00000
      6      14.8615      0.00000
      7      26.5543      0.00000
      8      26.5543      0.00000
      9      32.9566      0.00000
     10      32.9566      0.00000
     11      41.9429      0.00000
     12      41.9435      0.00000

 k-point    49 :       0.5000    0.0513    0.5513
  band No.  band energies     occupation 
      1      -2.9464      2.00000
      2      -2.9464      2.00000
      3       3.2532      2.00000
      4       3.2532      2.00000
      5      14.9534      0.00000
      6      14.9534      0.00000
      7      26.5194      0.00000
      8      26.5194      0.00000
      9      32.9034      0.00000
     10      32.9034      0.00000
     11      41.8625      0.00000
     12      41.8628      0.00000

 k-point    50 :       0.5000    0.0577    0.5577
  band No.  band energies     occupation 
      1      -2.9302      2.00000
      2      -2.9302      2.00000
      3       3.2001      2.00000
      4       3.2001      2.00000
      5      15.0557      0.00000
      6      15.0557      0.00000
      7      26.4659      0.00000
      8      26.4659      0.00000
      9      32.8429      0.00000
     10      32.8429      0.00000
     11      41.7763      0.00000
     12      41.7766      0.00000

 k-point    51 :       0.5000    0.0641    0.5641
  band No.  band energies     occupation 
      1      -2.9123      2.00000
      2      -2.9123      2.00000
      3       3.1423      2.00000
      4       3.1423      2.00000
      5      15.1686      0.00000
      6      15.1686      0.00000
      7      26.4054      0.00000
      8      26.4054      0.00000
      9      32.7773      0.00000
     10      32.7773      0.00000
     11      41.6879      0.00000
     12      41.6880      0.00000

 k-point    52 :       0.5000    0.0705    0.5705
  band No.  band energies     occupation 
      1      -2.8927      2.00000
      2      -2.8927      2.00000
      3       3.0803      2.00000
      4       3.0803      2.00000
      5      15.2915      0.00000
      6      15.2915      0.00000
      7      26.3378      0.00000
      8      26.3378      0.00000
      9      32.7073      0.00000
     10      32.7073      0.00000
     11      41.5986      0.00000
     12      41.5987      0.00000

 k-point    53 :       0.5000    0.0769    0.5769
  band No.  band energies     occupation 
      1      -2.8714      2.00000
      2      -2.8714      2.00000
      3       3.0144      2.00000
      4       3.0144      2.00000
      5      15.4242      0.00000
      6      15.4242      0.00000
      7      26.2629      0.00000
      8      26.2629      0.00000
      9      32.6335      0.00000
     10      32.6335      0.00000
     11      41.5096      0.00000
     12      41.5096      0.00000

 k-point    54 :       0.5000    0.0833    0.5833
  band No.  band energies     occupation 
      1      -2.8486      2.00000
      2      -2.8486      2.00000
      3       2.9451      2.00000
      4       2.9451      2.00000
      5      15.5660      0.00000
      6      15.5660      0.00000
      7      26.1803      0.00000
      8      26.1803      0.00000
      9      32.5568      0.00000
     10      32.5568      0.00000
     11      41.4217      0.00000
     12      41.4217      0.00000

 k-point    55 :       0.5000    0.0897    0.5897
  band No.  band energies     occupation 
      1      -2.8239      2.00000
      2      -2.8239      2.00000
      3       2.8733      2.00000
      4       2.8733      2.00000
      5      15.7181      0.00000
      6      15.7181      0.00000
      7      26.0954      0.00000
      8      26.0954      0.00000
      9      32.4917      0.00000
     10      32.4917      0.00000
     11      41.3378      0.00000
     12      41.3378      0.00000

 k-point    56 :       0.5000    0.0962    0.5962
  band No.  band energies     occupation 
      1      -2.7982      2.00000
      2      -2.7982      2.00000
      3       2.7986      2.00000
      4       2.7986      2.00000
      5      15.8768      0.00000
      6      15.8768      0.00000
      7      25.9971      0.00000
      8      25.9971      0.00000
      9      32.4103      0.00000
     10      32.4103      0.00000
     11      41.2547      0.00000
     12      41.2547      0.00000

 k-point    57 :       0.5000    0.1026    0.6026
  band No.  band energies     occupation 
      1      -2.7712      2.00000
      2      -2.7712      2.00000
      3       2.7220      2.00000
      4       2.7220      2.00000
      5      16.0434      0.00000
      6      16.0434      0.00000
      7      25.8907      0.00000
      8      25.8907      0.00000
      9      32.3281      0.00000
     10      32.3281      0.00000
     11      41.1746      0.00000
     12      41.1746      0.00000

 k-point    58 :       0.5000    0.1090    0.6090
  band No.  band energies     occupation 
      1      -2.7430      2.00000
      2      -2.7430      2.00000
      3       2.6438      2.00000
      4       2.6438      2.00000
      5      16.2174      0.00000
      6      16.2174      0.00000
      7      25.7761      0.00000
      8      25.7761      0.00000
      9      32.2458      0.00000
     10      32.2458      0.00000
     11      41.0980      0.00000
     12      41.0980      0.00000

 k-point    59 :       0.5000    0.1154    0.6154
  band No.  band energies     occupation 
      1      -2.7138      2.00000
      2      -2.7138      2.00000
      3       2.5646      2.00000
      4       2.5646      2.00000
      5      16.3982      0.00000
      6      16.3982      0.00000
      7      25.6532      0.00000
      8      25.6532      0.00000
      9      32.1641      0.00000
     10      32.1641      0.00000
     11      41.0250      0.00000
     12      41.0250      0.00000

 k-point    60 :       0.5000    0.1218    0.6218
  band No.  band energies     occupation 
      1      -2.6836      2.00000
      2      -2.6836      2.00000
      3       2.4848      2.00000
      4       2.4848      2.00000
      5      16.5854      0.00000
      6      16.5854      0.00000
      7      25.5221      0.00000
      8      25.5221      0.00000
      9      32.0836      0.00000
     10      32.0836      0.00000
     11      40.9559      0.00000
     12      40.9559      0.00000

 k-point    61 :       0.5000    0.1282    0.6282
  band No.  band energies     occupation 
      1      -2.6527      2.00000
      2      -2.6527      2.00000
      3       2.4048      2.00000
      4       2.4048      2.00000
      5      16.7787      0.00000
      6      16.7787      0.00000
      7      25.3828      0.00000
      8      25.3828      0.00000
      9      32.0050      0.00000
     10      32.0050      0.00000
     11      40.8907      0.00000
     12      40.8907      0.00000

 k-point    62 :       0.5000    0.1346    0.6346
  band No.  band energies     occupation 
      1      -2.6211      2.00000
      2      -2.6211      2.00000
      3       2.3251      2.00000
      4       2.3251      2.00000
      5      16.9775      0.00000
      6      16.9775      0.00000
      7      25.2353      0.00000
      8      25.2353      0.00000
      9      31.9288      0.00000
     10      31.9288      0.00000
     11      40.8295      0.00000
     12      40.8295      0.00000

 k-point    63 :       0.5000    0.1410    0.6410
  band No.  band energies     occupation 
      1      -2.5891      2.00000
      2      -2.5891      2.00000
      3       2.2457      2.00000
      4       2.2457      2.00000
      5      17.1806      0.00000
      6      17.1806      0.00000
      7      25.0736      0.00000
      8      25.0736      0.00000
      9      31.8553      0.00000
     10      31.8553      0.00000
     11      40.7703      0.00000
     12      40.7705      0.00000

 k-point    64 :       0.5000    0.1474    0.6474
  band No.  band energies     occupation 
      1      -2.5568      2.00000
      2      -2.5568      2.00000
      3       2.1679      2.00000
      4       2.1679      2.00000
      5      17.3889      0.00000
      6      17.3889      0.00000
      7      24.9107      0.00000
      8      24.9107      0.00000
      9      31.7851      0.00000
     10      31.7851      0.00000
     11      40.7171      0.00000
     12      40.7172      0.00000

 k-point    65 :       0.5000    0.1538    0.6538
  band No.  band energies     occupation 
      1      -2.5245      2.00000
      2      -2.5245      2.00000
      3       2.0917      2.00000
      4       2.0917      2.00000
      5      17.6013      0.00000
      6      17.6013      0.00000
      7      24.7405      0.00000
      8      24.7405      0.00000
      9      31.7185      0.00000
     10      31.7185      0.00000
     11      40.6678      0.00000
     12      40.6678      0.00000

 k-point    66 :       0.5000    0.1603    0.6603
  band No.  band energies     occupation 
      1      -2.4924      2.00000
      2      -2.4924      2.00000
      3       2.0176      2.00000
      4       2.0176      2.00000
      5      17.8174      0.00000
      6      17.8174      0.00000
      7      24.5634      0.00000
      8      24.5634      0.00000
      9      31.6557      0.00000
     10      31.6557      0.00000
     11      40.6223      0.00000
     12      40.6223      0.00000

 k-point    67 :       0.5000    0.1667    0.6667
  band No.  band energies     occupation 
      1      -2.4606      2.00000
      2      -2.4606      2.00000
      3       1.9461      2.00000
      4       1.9461      2.00000
      5      18.0365      0.00000
      6      18.0365      0.00000
      7      24.3800      0.00000
      8      24.3800      0.00000
      9      31.5970      0.00000
     10      31.5970      0.00000
     11      40.5805      0.00000
     12      40.5806      0.00000

 k-point    68 :       0.5000    0.1731    0.6731
  band No.  band energies     occupation 
      1      -2.4296      2.00000
      2      -2.4296      2.00000
      3       1.8774      2.00000
      4       1.8774      2.00000
      5      18.2580      0.00000
      6      18.2580      0.00000
      7      24.1910      0.00000
      8      24.1910      0.00000
      9      31.5425      0.00000
     10      31.5425      0.00000
     11      40.5422      0.00000
     12      40.5423      0.00000

 k-point    69 :       0.5000    0.1795    0.6795
  band No.  band energies     occupation 
      1      -2.3995      2.00000
      2      -2.3995      2.00000
      3       1.8122      2.00000
      4       1.8122      2.00000
      5      18.4814      0.00000
      6      18.4814      0.00000
      7      23.9969      0.00000
      8      23.9969      0.00000
      9      31.4924      0.00000
     10      31.4924      0.00000
     11      40.5075      0.00000
     12      40.5076      0.00000

 k-point    70 :       0.5000    0.1859    0.6859
  band No.  band energies     occupation 
      1      -2.3705      2.00000
      2      -2.3705      2.00000
      3       1.7512      2.00000
      4       1.7512      2.00000
      5      18.7082      0.00000
      6      18.7082      0.00000
      7      23.8065      0.00000
      8      23.8065      0.00000
      9      31.4522      0.00000
     10      31.4522      0.00000
     11      40.4776      0.00000
     12      40.4777      0.00000

 k-point    71 :       0.5000    0.1923    0.6923
  band No.  band energies     occupation 
      1      -2.3432      2.00000
      2      -2.3432      2.00000
      3       1.6940      2.00000
      4       1.6940      2.00000
      5      18.9329      0.00000
      6      18.9329      0.00000
      7      23.6044      0.00000
      8      23.6044      0.00000
      9      31.4109      0.00000
     10      31.4109      0.00000
     11      40.4496      0.00000
     12      40.4497      0.00000

 k-point    72 :       0.5000    0.1987    0.6987
  band No.  band energies     occupation 
      1      -2.3176      2.00000
      2      -2.3176      2.00000
      3       1.6414      2.00000
      4       1.6414      2.00000
      5      19.1565      0.00000
      6      19.1565      0.00000
      7      23.4006      0.00000
      8      23.4006      0.00000
      9      31.3740      0.00000
     10      31.3740      0.00000
     11      40.4248      0.00000
     12      40.4249      0.00000

 k-point    73 :       0.5000    0.2051    0.7051
  band No.  band energies     occupation 
      1      -2.2942      2.00000
      2      -2.2942      2.00000
      3       1.5939      2.00000
      4       1.5939      2.00000
      5      19.3776      0.00000
      6      19.3776      0.00000
      7      23.1968      0.00000
      8      23.1968      0.00000
      9      31.3416      0.00000
     10      31.3416      0.00000
     11      40.4032      0.00000
     12      40.4033      0.00000

 k-point    74 :       0.5000    0.2115    0.7115
  band No.  band energies     occupation 
      1      -2.2732      2.00000
      2      -2.2732      2.00000
      3       1.5518      2.00000
      4       1.5518      2.00000
      5      19.5939      0.00000
      6      19.5939      0.00000
      7      22.9951      0.00000
      8      22.9951      0.00000
      9      31.3136      0.00000
     10      31.3136      0.00000
     11      40.3846      0.00000
     12      40.3846      0.00000

 k-point    75 :       0.5000    0.2179    0.7179
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -2.2549      2.00000
      3       1.5155      2.00000
      4       1.5155      2.00000
      5      19.8023      0.00000
      6      19.8023      0.00000
      7      22.7989      0.00000
      8      22.7989      0.00000
      9      31.2900      0.00000
     10      31.2900      0.00000
     11      40.3690      0.00000
     12      40.3691      0.00000

 k-point    76 :       0.5000    0.2244    0.7244
  band No.  band energies     occupation 
      1      -2.2395      2.00000
      2      -2.2395      2.00000
      3       1.4840      2.00000
      4       1.4840      2.00000
      5      19.9944      0.00000
      6      19.9944      0.00000
      7      22.6123      0.00000
      8      22.6123      0.00000
      9      31.2690      0.00000
     10      31.2690      0.00000
     11      40.3516      0.00000
     12      40.3517      0.00000

 k-point    77 :       0.5000    0.2308    0.7308
  band No.  band energies     occupation 
      1      -2.2273      2.00000
      2      -2.2273      2.00000
      3       1.4603      2.00000
      4       1.4603      2.00000
      5      20.1700      0.00000
      6      20.1700      0.00000
      7      22.4441      0.00000
      8      22.4441      0.00000
      9      31.2540      0.00000
     10      31.2540      0.00000
     11      40.3418      0.00000
     12      40.3419      0.00000

 k-point    78 :       0.5000    0.2372    0.7372
  band No.  band energies     occupation 
      1      -2.2185      2.00000
      2      -2.2185      2.00000
      3       1.4431      2.00000
      4       1.4431      2.00000
      5      20.3144      0.00000
      6      20.3144      0.00000
      7      22.3049      0.00000
      8      22.3049      0.00000
      9      31.2434      0.00000
     10      31.2434      0.00000
     11      40.3348      0.00000
     12      40.3349      0.00000

 k-point    79 :       0.5000    0.2436    0.7436
  band No.  band energies     occupation 
      1      -2.2131      2.00000
      2      -2.2131      2.00000
      3       1.4328      2.00000
      4       1.4328      2.00000
      5      20.4122      0.00000
      6      20.4122      0.00000
      7      22.2102      0.00000
      8      22.2102      0.00000
      9      31.2370      0.00000
     10      31.2370      0.00000
     11      40.3306      0.00000
     12      40.3306      0.00000

 k-point    80 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2      -2.2113      2.00000
      3       1.4293      2.00000
      4       1.4293      2.00000
      5      20.4472      0.00000
      6      20.4472      0.00000
      7      22.1762      0.00000
      8      22.1762      0.00000
      9      31.2349      0.00000
     10      31.2349      0.00000
     11      40.3292      0.00000
     12      40.3292      0.00000

 k-point    81 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2      -2.2113      2.00000
      3       1.4293      2.00000
      4       1.4293      2.00000
      5      20.4472      0.00000
      6      20.4472      0.00000
      7      22.1762      0.00000
      8      22.1762      0.00000
      9      31.2349      0.00000
     10      31.2349      0.00000
     11      40.3292      0.00000
     12      40.3292      0.00000

 k-point    82 :       0.4968    0.2532    0.7500
  band No.  band energies     occupation 
      1      -2.2620      2.00000
      2      -2.1624      2.00000
      3       1.3808      2.00000
      4       1.4814      2.00000
      5      20.3864      0.00000
      6      20.4875      0.00000
      7      22.1745      0.00000
      8      22.1988      0.00000
      9      31.1543      0.00000
     10      31.3151      0.00000
     11      40.2366      0.00000
     12      40.4214      0.00000

 k-point    83 :       0.4936    0.2564    0.7500
  band No.  band energies     occupation 
      1      -2.3115      2.00000
      2      -2.1185      2.00000
      3       1.3334      2.00000
      4       1.5395      2.00000
      5      20.2914      0.00000
      6      20.5238      0.00000
      7      22.2067      0.00000
      8      22.2265      0.00000
      9      31.0725      0.00000
     10      31.3962      0.00000
     11      40.1402      0.00000
     12      40.5162      0.00000

 k-point    84 :       0.4904    0.2596    0.7500
  band No.  band energies     occupation 
      1      -2.3596      2.00000
      2      -2.0794      2.00000
      3       1.2871      2.00000
      4       1.6036      2.00000
      5      20.1687      0.00000
      6      20.5559      0.00000
      7      22.2594      0.00000
      8      22.2667      0.00000
      9      30.9894      0.00000
     10      31.4780      0.00000
     11      40.0401      0.00000
     12      40.6135      0.00000

 k-point    85 :       0.4872    0.2628    0.7500
  band No.  band energies     occupation 
      1      -2.4065      2.00000
      2      -2.0449      2.00000
      3       1.2418      2.00000
      4       1.6733      2.00000
      5      20.0251      0.00000
      6      20.5840      0.00000
      7      22.2974      0.00000
      8      22.3478      0.00000
      9      30.9051      0.00000
     10      31.5604      0.00000
     11      39.9362      0.00000
     12      40.7133      0.00000

 k-point    86 :       0.4840    0.2660    0.7500
  band No.  band energies     occupation 
      1      -2.4520      2.00000
      2      -2.0149      2.00000
      3       1.1977      2.00000
      4       1.7482      2.00000
      5      19.8664      0.00000
      6      20.6080      0.00000
      7      22.3403      0.00000
      8      22.4442      0.00000
      9      30.8199      0.00000
     10      31.6432      0.00000
     11      39.8286      0.00000
     12      40.8155      0.00000

 k-point    87 :       0.4808    0.2692    0.7500
  band No.  band energies     occupation 
      1      -2.4962      2.00000
      2      -1.9891      2.00000
      3       1.1546      2.00000
      4       1.8295      2.00000
      5      19.7005      0.00000
      6      20.6281      0.00000
      7      22.3886      0.00000
      8      22.5516      0.00000
      9      30.7353      0.00000
     10      31.7265      0.00000
     11      39.7216      0.00000
     12      40.9200      0.00000

 k-point    88 :       0.4776    0.2724    0.7500
  band No.  band energies     occupation 
      1      -2.5391      2.00000
      2      -1.9671      2.00000
      3       1.1127      2.00000
      4       1.9140      2.00000
      5      19.5240      0.00000
      6      20.6446      0.00000
      7      22.4407      0.00000
      8      22.6667      0.00000
      9      30.6485      0.00000
     10      31.8100      0.00000
     11      39.6067      0.00000
     12      41.0265      0.00000

 k-point    89 :       0.4744    0.2756    0.7500
  band No.  band energies     occupation 
      1      -2.5807      2.00000
      2      -1.9488      2.00000
      3       1.0719      2.00000
      4       2.0026      2.00000
      5      19.3428      0.00000
      6      20.6577      0.00000
      7      22.4969      0.00000
      8      22.7872      0.00000
      9      30.5611      0.00000
     10      31.8938      0.00000
     11      39.4883      0.00000
     12      41.1351      0.00000

 k-point    90 :       0.4712    0.2788    0.7500
  band No.  band energies     occupation 
      1      -2.6210      2.00000
      2      -1.9338      2.00000
      3       1.0323      2.00000
      4       2.0949      2.00000
      5      19.1586      0.00000
      6      20.6677      0.00000
      7      22.5568      0.00000
      8      22.9114      0.00000
      9      30.4733      0.00000
     10      31.9777      0.00000
     11      39.3664      0.00000
     12      41.2455      0.00000

 k-point    91 :       0.4679    0.2821    0.7500
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2      -1.9217      2.00000
      3       0.9938      2.00000
      4       2.1904      2.00000
      5      18.9729      0.00000
      6      20.6749      0.00000
      7      22.6200      0.00000
      8      23.0380      0.00000
      9      30.3851      0.00000
     10      32.0619      0.00000
     11      39.2413      0.00000
     12      41.3577      0.00000

 k-point    92 :       0.4647    0.2853    0.7500
  band No.  band energies     occupation 
      1      -2.6977      2.00000
      2      -1.9124      2.00000
      3       0.9565      2.00000
      4       2.2888      2.00000
      5      18.7867      0.00000
      6      20.6797      0.00000
      7      22.6862      0.00000
      8      23.1661      0.00000
      9      30.2968      0.00000
     10      32.1461      0.00000
     11      39.1132      0.00000
     12      41.4716      0.00000

 k-point    93 :       0.4615    0.2885    0.7500
  band No.  band energies     occupation 
      1      -2.7340      2.00000
      2      -1.9055      2.00000
      3       0.9204      2.00000
      4       2.3895      2.00000
      5      18.6008      0.00000
      6      20.6823      0.00000
      7      22.7549      0.00000
      8      23.2948      0.00000
      9      30.2084      0.00000
     10      32.2305      0.00000
     11      38.9822      0.00000
     12      41.5869      0.00000

 k-point    94 :       0.4583    0.2917    0.7500
  band No.  band energies     occupation 
      1      -2.7691      2.00000
      2      -1.9006      2.00000
      3       0.8856      2.00000
      4       2.4920      2.00000
      5      18.4161      0.00000
      6      20.6831      0.00000
      7      22.8257      0.00000
      8      23.4236      0.00000
      9      30.1201      0.00000
     10      32.3150      0.00000
     11      38.8485      0.00000
     12      41.7037      0.00000

 k-point    95 :       0.4551    0.2949    0.7500
  band No.  band energies     occupation 
      1      -2.8028      2.00000
      2      -1.8977      2.00000
      3       0.8519      2.00000
      4       2.5960      2.00000
      5      18.2330      0.00000
      6      20.6823      0.00000
      7      22.8982      0.00000
      8      23.5519      0.00000
      9      30.0321      0.00000
     10      32.3996      0.00000
     11      38.7123      0.00000
     12      41.8216      0.00000

 k-point    96 :       0.4519    0.2981    0.7500
  band No.  band energies     occupation 
      1      -2.8352      2.00000
      2      -1.8964      2.00000
      3       0.8195      2.00000
      4       2.7010      2.00000
      5      18.0522      0.00000
      6      20.6802      0.00000
      7      22.9722      0.00000
      8      23.6792      0.00000
      9      29.9444      0.00000
     10      32.4844      0.00000
     11      38.5740      0.00000
     12      41.9406      0.00000

 k-point    97 :       0.4487    0.3013    0.7500
  band No.  band energies     occupation 
      1      -2.8663      2.00000
      2      -1.8964      2.00000
      3       0.7884      2.00000
      4       2.8066      2.00000
      5      17.8741      0.00000
      6      20.6770      0.00000
      7      23.0471      0.00000
      8      23.8051      0.00000
      9      29.8574      0.00000
     10      32.5693      0.00000
     11      38.4338      0.00000
     12      42.0605      0.00000

 k-point    98 :       0.4455    0.3045    0.7500
  band No.  band energies     occupation 
      1      -2.8961      2.00000
      2      -1.8977      2.00000
      3       0.7584      2.00000
      4       2.9123      2.00000
      5      17.6992      0.00000
      6      20.6729      0.00000
      7      23.1227      0.00000
      8      23.9291      0.00000
      9      29.7711      0.00000
     10      32.6543      0.00000
     11      38.2919      0.00000
     12      42.1810      0.00000

 k-point    99 :       0.4423    0.3077    0.7500
  band No.  band energies     occupation 
      1      -2.9245      2.00000
      2      -1.8999      2.00000
      3       0.7298      2.00000
      4       3.0176      2.00000
      5      17.5279      0.00000
      6      20.6681      0.00000
      7      23.1986      0.00000
      8      24.0510      0.00000
      9      29.6857      0.00000
     10      32.7396      0.00000
     11      38.1486      0.00000
     12      42.3019      0.00000

 k-point   100 :       0.4391    0.3109    0.7500
  band No.  band energies     occupation 
      1      -2.9517      2.00000
      2      -1.9031      2.00000
      3       0.7021      2.00000
      4       3.1222      2.00000
      5      17.3603      0.00000
      6      20.6594      0.00000
      7      23.2679      0.00000
      8      24.1702      0.00000
      9      29.5994      0.00000
     10      32.8233      0.00000
     11      38.0028      0.00000
     12      42.4228      0.00000

 k-point   101 :       0.4359    0.3141    0.7500
  band No.  band energies     occupation 
      1      -2.9775      2.00000
      2      -1.9068      2.00000
      3       0.6760      2.00000
      4       3.2257      2.00000
      5      17.1975      0.00000
      6      20.6538      0.00000
      7      23.3430      0.00000
      8      24.2867      0.00000
      9      29.5167      0.00000
     10      32.9089      0.00000
     11      37.8577      0.00000
     12      42.5439      0.00000

 k-point   102 :       0.4327    0.3173    0.7500
  band No.  band energies     occupation 
      1      -3.0020      2.00000
      2      -1.9111      2.00000
      3       0.6512      2.00000
      4       3.3275      2.00000
      5      17.0395      0.00000
      6      20.6479      0.00000
      7      23.4175      0.00000
      8      24.3999      0.00000
      9      29.4355      0.00000
     10      32.9949      0.00000
     11      37.7123      0.00000
     12      42.6646      0.00000

 k-point   103 :       0.4295    0.3205    0.7500
  band No.  band energies     occupation 
      1      -3.0252      2.00000
      2      -1.9157      2.00000
      3       0.6277      2.00000
      4       3.4272      2.00000
      5      16.8868      0.00000
      6      20.6418      0.00000
      7      23.4909      0.00000
      8      24.5095      0.00000
      9      29.3561      0.00000
     10      33.0812      0.00000
     11      37.5668      0.00000
     12      42.7846      0.00000

 k-point   104 :       0.4263    0.3237    0.7500
  band No.  band energies     occupation 
      1      -3.0470      2.00000
      2      -1.9206      2.00000
      3       0.6055      2.00000
      4       3.5245      2.00000
      5      16.7398      0.00000
      6      20.6357      0.00000
      7      23.5631      0.00000
      8      24.6152      0.00000
      9      29.2787      0.00000
     10      33.1679      0.00000
     11      37.4216      0.00000
     12      42.9034      0.00000

 k-point   105 :       0.4231    0.3269    0.7500
  band No.  band energies     occupation 
      1      -3.0675      2.00000
      2      -1.9256      2.00000
      3       0.5856      2.00000
      4       3.6189      2.00000
      5      16.5990      0.00000
      6      20.6339      0.00000
      7      23.6338      0.00000
      8      24.7170      0.00000
      9      29.2039      0.00000
     10      33.2572      0.00000
     11      37.2774      0.00000
     12      43.0255      0.00000

 k-point   106 :       0.4199    0.3301    0.7500
  band No.  band energies     occupation 
      1      -3.0867      2.00000
      2      -1.9307      2.00000
      3       0.5661      2.00000
      4       3.7099      2.00000
      5      16.4646      0.00000
      6      20.6279      0.00000
      7      23.7024      0.00000
      8      24.8139      0.00000
      9      29.1314      0.00000
     10      33.3446      0.00000
     11      37.1340      0.00000
     12      43.1409      0.00000

 k-point   107 :       0.4167    0.3333    0.7500
  band No.  band energies     occupation 
      1      -3.1045      2.00000
      2      -1.9358      2.00000
      3       0.5478      2.00000
      4       3.7971      2.00000
      5      16.3370      0.00000
      6      20.6221      0.00000
      7      23.7743      0.00000
      8      24.9059      0.00000
      9      29.0643      0.00000
     10      33.4322      0.00000
     11      36.9922      0.00000
     12      43.2582      0.00000

 k-point   108 :       0.4135    0.3365    0.7500
  band No.  band energies     occupation 
      1      -3.1211      2.00000
      2      -1.9408      2.00000
      3       0.5309      2.00000
      4       3.8801      2.00000
      5      16.2168      0.00000
      6      20.6165      0.00000
      7      23.8378      0.00000
      8      24.9926      0.00000
      9      28.9976      0.00000
     10      33.5200      0.00000
     11      36.8524      0.00000
     12      43.3675      0.00000

 k-point   109 :       0.4103    0.3397    0.7500
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2      -1.9458      2.00000
      3       0.5150      2.00000
      4       3.9572      2.00000
      5      16.1029      0.00000
      6      20.6098      0.00000
      7      23.8939      0.00000
      8      25.0613      0.00000
      9      28.9308      0.00000
     10      33.5959      0.00000
     11      36.7129      0.00000
     12      43.4685      0.00000

 k-point   110 :       0.4071    0.3429    0.7500
  band No.  band energies     occupation 
      1      -3.1503      2.00000
      2      -1.9504      2.00000
      3       0.5008      2.00000
      4       4.0304      2.00000
      5      15.9985      0.00000
      6      20.6047      0.00000
      7      23.9510      0.00000
      8      25.1362      0.00000
      9      28.8713      0.00000
     10      33.6831      0.00000
     11      36.5789      0.00000
     12      43.5694      0.00000

 k-point   111 :       0.4038    0.3462    0.7500
  band No.  band energies     occupation 
      1      -3.1629      2.00000
      2      -1.9547      2.00000
      3       0.4879      2.00000
      4       4.0981      2.00000
      5      15.9026      0.00000
      6      20.6001      0.00000
      7      24.0042      0.00000
      8      25.2050      0.00000
      9      28.8160      0.00000
     10      33.7697      0.00000
     11      36.4489      0.00000
     12      43.6649      0.00000

 k-point   112 :       0.4006    0.3494    0.7500
  band No.  band energies     occupation 
      1      -3.1742      2.00000
      2      -1.9586      2.00000
      3       0.4763      2.00000
      4       4.1599      2.00000
      5      15.8156      0.00000
      6      20.5958      0.00000
      7      24.0532      0.00000
      8      25.2674      0.00000
      9      28.7653      0.00000
     10      33.8550      0.00000
     11      36.3237      0.00000
     12      43.7542      0.00000

 k-point   113 :       0.3974    0.3526    0.7500
  band No.  band energies     occupation 
      1      -3.1841      2.00000
      2      -1.9622      2.00000
      3       0.4661      2.00000
      4       4.2155      2.00000
      5      15.7379      0.00000
      6      20.5921      0.00000
      7      24.0976      0.00000
      8      25.3231      0.00000
      9      28.7195      0.00000
     10      33.9382      0.00000
     11      36.2046      0.00000
     12      43.8362      0.00000

 k-point   114 :       0.3942    0.3558    0.7500
  band No.  band energies     occupation 
      1      -3.1927      2.00000
      2      -1.9654      2.00000
      3       0.4573      2.00000
      4       4.2644      2.00000
      5      15.6698      0.00000
      6      20.5888      0.00000
      7      24.1370      0.00000
      8      25.3719      0.00000
      9      28.6789      0.00000
     10      34.0181      0.00000
     11      36.0930      0.00000
     12      43.9099      0.00000

 k-point   115 :       0.3910    0.3590    0.7500
  band No.  band energies     occupation 
      1      -3.2000      2.00000
      2      -1.9680      2.00000
      3       0.4503      2.00000
      4       4.3069      2.00000
      5      15.6116      0.00000
      6      20.5877      0.00000
      7      24.1593      0.00000
      8      25.4183      0.00000
      9      28.6496      0.00000
     10      34.0922      0.00000
     11      35.9961      0.00000
     12      43.9767      0.00000

 k-point   116 :       0.3878    0.3622    0.7500
  band No.  band energies     occupation 
      1      -3.2060      2.00000
      2      -1.9703      2.00000
      3       0.4442      2.00000
      4       4.3415      2.00000
      5      15.5636      0.00000
      6      20.5853      0.00000
      7      24.1871      0.00000
      8      25.4526      0.00000
      9      28.6207      0.00000
     10      34.1601      0.00000
     11      35.9054      0.00000
     12      44.0315      0.00000

 k-point   117 :       0.3846    0.3654    0.7500
  band No.  band energies     occupation 
      1      -3.2106      2.00000
      2      -1.9721      2.00000
      3       0.4394      2.00000
      4       4.3688      2.00000
      5      15.5260      0.00000
      6      20.5834      0.00000
      7      24.2090      0.00000
      8      25.4794      0.00000
      9      28.5979      0.00000
     10      34.2184      0.00000
     11      35.8294      0.00000
     12      44.0752      0.00000

 k-point   118 :       0.3814    0.3686    0.7500
  band No.  band energies     occupation 
      1      -3.2139      2.00000
      2      -1.9734      2.00000
      3       0.4360      2.00000
      4       4.3884      2.00000
      5      15.4990      0.00000
      6      20.5820      0.00000
      7      24.2249      0.00000
      8      25.4987      0.00000
      9      28.5815      0.00000
     10      34.2636      0.00000
     11      35.7713      0.00000
     12      44.1070      0.00000

 k-point   119 :       0.3782    0.3718    0.7500
  band No.  band energies     occupation 
      1      -3.2159      2.00000
      2      -1.9742      2.00000
      3       0.4339      2.00000
      4       4.4002      2.00000
      5      15.4827      0.00000
      6      20.5812      0.00000
      7      24.2344      0.00000
      8      25.5103      0.00000
      9      28.5716      0.00000
     10      34.2926      0.00000
     11      35.7346      0.00000
     12      44.1270      0.00000

 k-point   120 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1332      0.00000

 k-point   121 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1330      0.00000

 k-point   122 :       0.3654    0.3654    0.7308
  band No.  band energies     occupation 
      1      -3.3987      2.00000
      2      -1.8101      2.00000
      3       0.3260      2.00000
      4       4.5478      2.00000
      5      15.6197      0.00000
      6      21.2705      0.00000
      7      23.9122      0.00000
      8      25.3668      0.00000
      9      28.1082      0.00000
     10      34.4223      0.00000
     11      35.1908      0.00000
     12      44.0774      0.00000

 k-point   123 :       0.3558    0.3558    0.7115
  band No.  band energies     occupation 
      1      -3.6271      2.00000
      2      -1.6341      2.00000
      3       0.2770      2.00000
      4       4.6984      2.00000
      5      15.7702      0.00000
      6      21.9405      0.00000
      7      23.5626      0.00000
      8      25.2095      0.00000
      9      27.6643      0.00000
     10      34.5270      0.00000
     11      34.6707      0.00000
     12      43.9759      0.00000

 k-point   124 :       0.3462    0.3462    0.6923
  band No.  band energies     occupation 
      1      -3.8948      2.00000
      2      -1.4460      2.00000
      3       0.2864      2.00000
      4       4.8605      2.00000
      5      15.9300      0.00000
      6      22.5996      0.00000
      7      23.2228      0.00000
      8      25.0827      0.00000
      9      27.2529      0.00000
     10      34.1789      0.00000
     11      34.6446      0.00000
     12      43.8684      0.00000

 k-point   125 :       0.3365    0.3365    0.6731
  band No.  band energies     occupation 
      1      -4.1939      2.00000
      2      -1.2462      2.00000
      3       0.3447      2.00000
      4       5.0283      2.00000
      5      16.0969      0.00000
      6      22.8789      0.00000
      7      23.2092      0.00000
      8      24.9319      0.00000
      9      26.8920      0.00000
     10      33.7078      0.00000
     11      34.7351      0.00000
     12      43.7446      0.00000

 k-point   126 :       0.3269    0.3269    0.6538
  band No.  band energies     occupation 
      1      -4.5158      2.00000
      2      -1.0348      2.00000
      3       0.4444      2.00000
      4       5.2030      2.00000
      5      16.2705      0.00000
      6      22.5326      0.00000
      7      23.7205      0.00000
      8      24.7830      0.00000
      9      26.6299      0.00000
     10      33.2588      0.00000
     11      34.8111      0.00000
     12      43.6156      0.00000

 k-point   127 :       0.3173    0.3173    0.6346
  band No.  band energies     occupation 
      1      -4.8530      2.00000
      2      -0.8117      2.00000
      3       0.5788      2.00000
      4       5.3841      2.00000
      5      16.4499      0.00000
      6      22.1854      0.00000
      7      24.0459      0.00000
      8      24.6367      0.00000
      9      26.5497      0.00000
     10      32.8330      0.00000
     11      34.8702      0.00000
     12      43.4897      0.00000

 k-point   128 :       0.3077    0.3077    0.6154
  band No.  band energies     occupation 
      1      -5.1994      2.00000
      2      -0.5766      2.00000
      3       0.7437      2.00000
      4       5.5711      2.00000
      5      16.6343      0.00000
      6      21.8394      0.00000
      7      24.1090      0.00000
      8      24.5056      0.00000
      9      26.7296      0.00000
     10      32.4313      0.00000
     11      34.9114      0.00000
     12      43.3743      0.00000

 k-point   129 :       0.2981    0.2981    0.5962
  band No.  band energies     occupation 
      1      -5.5502      2.00000
      2      -0.3307      2.00000
      3       0.9320      2.00000
      4       5.7629      2.00000
      5      16.8219      0.00000
      6      21.4946      0.00000
      7      23.9495      0.00000
      8      24.3666      0.00000
      9      27.1108      0.00000
     10      32.0547      0.00000
     11      34.9308      0.00000
     12      43.2760      0.00000

 k-point   130 :       0.2885    0.2885    0.5769
  band No.  band energies     occupation 
      1      -5.9015      2.00000
      2      -0.0733      2.00000
      3       1.1421      2.00000
      4       5.9589      2.00000
      5      17.0122      0.00000
      6      21.1654      0.00000
      7      23.6679      0.00000
      8      24.2338      0.00000
      9      27.6030      0.00000
     10      31.7040      0.00000
     11      34.9335      0.00000
     12      43.2012      0.00000

 k-point   131 :       0.2788    0.2788    0.5577
  band No.  band energies     occupation 
      1      -6.2508      2.00000
      2       0.1950      2.00000
      3       1.3709      2.00000
      4       6.1583      2.00000
      5      17.2018      0.00000
      6      20.8266      0.00000
      7      23.3287      0.00000
      8      24.1078      0.00000
      9      28.1173      0.00000
     10      31.3802      0.00000
     11      34.9062      0.00000
     12      43.1512      0.00000

 k-point   132 :       0.2692    0.2692    0.5385
  band No.  band energies     occupation 
      1      -6.5956      2.00000
      2       0.4743      2.00000
      3       1.6165      2.00000
      4       6.3602      2.00000
      5      17.3892      0.00000
      6      20.4931      0.00000
      7      22.9649      0.00000
      8      23.9903      0.00000
      9      28.6229      0.00000
     10      31.0843      0.00000
     11      34.8547      0.00000
     12      43.1300      0.00000

 k-point   133 :       0.2596    0.2596    0.5192
  band No.  band energies     occupation 
      1      -6.9344      2.00000
      2       0.7645      2.00000
      3       1.8774      2.00000
      4       6.5637      2.00000
      5      17.5722      0.00000
      6      20.1657      0.00000
      7      22.5916      0.00000
      8      23.8827      0.00000
      9      29.0984      0.00000
     10      30.8172      0.00000
     11      34.7788      0.00000
     12      43.1383      0.00000

 k-point   134 :       0.2500    0.2500    0.5000
  band No.  band energies     occupation 
      1      -7.2658      2.00000
      2       1.0643      2.00000
      3       2.1511      2.00000
      4       6.7669      2.00000
      5      17.7443      0.00000
      6      19.8423      0.00000
      7      22.2115      0.00000
      8      23.7799      0.00000
      9      29.5162      0.00000
     10      30.5786      0.00000
     11      34.6629      0.00000
     12      43.1634      0.00000

 k-point   135 :       0.2404    0.2404    0.4808
  band No.  band energies     occupation 
      1      -7.5886      2.00000
      2       1.3753      2.00000
      3       2.4383      2.00000
      4       6.9706      2.00000
      5      17.9088      0.00000
      6      19.5294      0.00000
      7      21.8383      0.00000
      8      23.6965      0.00000
      9      29.8953      0.00000
     10      30.3721      0.00000
     11      34.5406      0.00000
     12      43.2066      0.00000

 k-point   136 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1      -7.9020      2.00000
      2       1.6965      2.00000
      3       2.7372      2.00000
      4       7.1728      2.00000
      5      18.0593      0.00000
      6      19.2248      0.00000
      7      21.4697      0.00000
      8      23.6276      0.00000
      9      30.1974      0.00000
     10      30.2176      0.00000
     11      34.3982      0.00000
     12      43.2341      0.00000

 k-point   137 :       0.2212    0.2212    0.4423
  band No.  band energies     occupation 
      1      -8.2054      2.00000
      2       2.0276      2.00000
      3       3.0468      2.00000
      4       7.3727      2.00000
      5      18.1920      0.00000
      6      18.9292      0.00000
      7      21.1072      0.00000
      8      23.5744      0.00000
      9      30.0555      0.00000
     10      30.4810      0.00000
     11      34.2389      0.00000
     12      43.2392      0.00000

 k-point   138 :       0.2115    0.2115    0.4231
  band No.  band energies     occupation 
      1      -8.4981      2.00000
      2       2.3684      2.00000
      3       3.3663      2.00000
      4       7.5691      2.00000
      5      18.3034      0.00000
      6      18.6431      0.00000
      7      20.7516      0.00000
      8      23.5378      0.00000
      9      29.9473      0.00000
     10      30.6858      0.00000
     11      34.0666      0.00000
     12      43.2307      0.00000

 k-point   139 :       0.2019    0.2019    0.4038
  band No.  band energies     occupation 
      1      -8.7797      2.00000
      2       2.7184      2.00000
      3       3.6951      2.00000
      4       7.7610      2.00000
      5      18.3686      0.00000
      6      18.3900      0.00000
      7      20.4044      0.00000
      8      23.5180      0.00000
      9      29.8737      0.00000
     10      30.8504      0.00000
     11      33.8865      0.00000
     12      43.1005      0.00000

 k-point   140 :       0.1923    0.1923    0.3846
  band No.  band energies     occupation 
      1      -9.0498      2.00000
      2       3.0782      2.00000
      3       4.0331      2.00000
      4       7.9529      2.00000
      5      18.1138      0.00000
      6      18.4536      0.00000
      7      20.0685      0.00000
      8      23.5171      0.00000
      9      29.8356      0.00000
     10      30.9453      0.00000
     11      33.7063      0.00000
     12      42.8319      0.00000

 k-point   141 :       0.1827    0.1827    0.3654
  band No.  band energies     occupation 
      1      -9.3080      2.00000
      2       3.4456      2.00000
      3       4.3766      2.00000
      4       8.1331      2.00000
      5      17.8584      0.00000
      6      18.4827      0.00000
      7      19.7353      0.00000
      8      23.5270      0.00000
      9      29.8337      0.00000
     10      30.9926      0.00000
     11      33.5288      0.00000
     12      42.4022      0.00000

 k-point   142 :       0.1731    0.1731    0.3462
  band No.  band energies     occupation 
      1      -9.5541      2.00000
      2       3.8210      2.00000
      3       4.7263      2.00000
      4       8.3061      2.00000
      5      17.6143      0.00000
      6      18.4805      0.00000
      7      19.4099      0.00000
      8      23.5479      0.00000
      9      29.8688      0.00000
     10      30.9977      0.00000
     11      33.3640      0.00000
     12      42.0044      0.00000

 k-point   143 :       0.1635    0.1635    0.3269
  band No.  band energies     occupation 
      1      -9.7879      2.00000
      2       4.2037      2.00000
      3       5.0811      2.00000
      4       8.4712      2.00000
      5      17.3819      0.00000
      6      18.4465      0.00000
      7      19.0921      0.00000
      8      23.5754      0.00000
      9      29.9414      0.00000
     10      30.9662      0.00000
     11      33.2198      0.00000
     12      41.6340      0.00000

 k-point   144 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1     -10.0090      2.00000
      2       4.5930      2.00000
      3       5.4399      2.00000
      4       8.6276      2.00000
      5      17.1613      0.00000
      6      18.3811      0.00000
      7      18.7820      0.00000
      8      23.6048      0.00000
      9      30.0519      0.00000
     10      30.9034      0.00000
     11      33.1043      0.00000
     12      41.3298      0.00000

 k-point   145 :       0.1442    0.1442    0.2885
  band No.  band energies     occupation 
      1     -10.2175      2.00000
      2       4.9881      2.00000
      3       5.8014      2.00000
      4       8.7748      2.00000
      5      16.9530      0.00000
      6      18.2851      0.00000
      7      18.4792      0.00000
      8      23.6309      0.00000
      9      30.2008      0.00000
     10      30.8142      0.00000
     11      33.0252      0.00000
     12      40.9617      0.00000

 k-point   146 :       0.1346    0.1346    0.2692
  band No.  band energies     occupation 
      1     -10.4130      2.00000
      2       5.3881      2.00000
      3       6.1642      2.00000
      4       8.9123      2.00000
      5      16.7571      0.00000
      6      18.1601      0.00000
      7      18.1837      0.00000
      8      23.6491      0.00000
      9      30.3880      0.00000
     10      30.7035      0.00000
     11      32.9893      0.00000
     12      40.5659      0.00000

 k-point   147 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation 
      1     -10.5955      2.00000
      2       5.7916      2.00000
      3       6.5268      2.00000
      4       9.0398      2.00000
      5      16.5738      0.00000
      6      17.8956      0.00000
      7      18.0075      0.00000
      8      23.6558      0.00000
      9      30.5757      0.00000
     10      30.6138      0.00000
     11      33.0020      0.00000
     12      40.1483      0.00000

 k-point   148 :       0.1154    0.1154    0.2308
  band No.  band energies     occupation 
      1     -10.7649      2.00000
      2       6.1974      2.00000
      3       6.8873      2.00000
      4       9.1572      2.00000
      5      16.4034      0.00000
      6      17.6148      0.00000
      7      17.8295      0.00000
      8      23.6490      0.00000
      9      30.4351      0.00000
     10      30.8779      0.00000
     11      33.0666      0.00000
     12      39.7391      0.00000

 k-point   149 :       0.1058    0.1058    0.2115
  band No.  band energies     occupation 
      1     -10.9210      2.00000
      2       6.6036      2.00000
      3       7.2436      2.00000
      4       9.2643      2.00000
      5      16.2461      0.00000
      6      17.3417      0.00000
      7      17.6284      0.00000
      8      23.6282      0.00000
      9      30.2859      0.00000
     10      31.1799      0.00000
     11      33.1845      0.00000
     12      39.3673      0.00000

 k-point   150 :       0.0962    0.0962    0.1923
  band No.  band energies     occupation 
      1     -11.0638      2.00000
      2       7.0120      2.00000
      3       7.5966      2.00000
      4       9.3656      2.00000
      5      16.0971      0.00000
      6      17.0743      0.00000
      7      17.4000      0.00000
      8      23.6049      0.00000
      9      30.1308      0.00000
     10      31.5218      0.00000
     11      33.3534      0.00000
     12      39.0303      0.00000

 k-point   151 :       0.0865    0.0865    0.1731
  band No.  band energies     occupation 
      1     -11.1932      2.00000
      2       7.4121      2.00000
      3       7.9370      2.00000
      4       9.4519      2.00000
      5      15.9662      0.00000
      6      16.8178      0.00000
      7      17.1609      0.00000
      8      23.5593      0.00000
      9      29.9766      0.00000
     10      31.8986      0.00000
     11      33.5733      0.00000
     12      38.7195      0.00000

 k-point   152 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
      1     -11.3091      2.00000
      2       7.8063      2.00000
      3       8.2678      2.00000
      4       9.5310      2.00000
      5      15.8527      0.00000
      6      16.5769      0.00000
      7      16.9161      0.00000
      8      23.5103      0.00000
      9      29.8300      0.00000
     10      32.3133      0.00000
     11      33.8401      0.00000
     12      38.4452      0.00000

 k-point   153 :       0.0673    0.0673    0.1346
  band No.  band energies     occupation 
      1     -11.4115      2.00000
      2       8.1893      2.00000
      3       8.5794      2.00000
      4       9.5973      2.00000
      5      15.7487      0.00000
      6      16.3433      0.00000
      7      16.6572      0.00000
      8      23.4570      0.00000
      9      29.6856      0.00000
     10      32.7617      0.00000
     11      34.1441      0.00000
     12      38.2023      0.00000

 k-point   154 :       0.0577    0.0577    0.1154
  band No.  band energies     occupation 
      1     -11.5003      2.00000
      2       8.5507      2.00000
      3       8.8689      2.00000
      4       9.6541      2.00000
      5      15.6584      0.00000
      6      16.1253      0.00000
      7      16.3970      0.00000
      8      23.3996      0.00000
      9      29.5518      0.00000
     10      33.2441      0.00000
     11      34.4803      0.00000
     12      38.0150      0.00000

 k-point   155 :       0.0481    0.0481    0.0962
  band No.  band energies     occupation 
      1     -11.5755      2.00000
      2       8.8874      2.00000
      3       9.1316      2.00000
      4       9.7037      2.00000
      5      15.5839      0.00000
      6      15.9259      0.00000
      7      16.1486      0.00000
      8      23.3478      0.00000
      9      29.4338      0.00000
     10      33.7600      0.00000
     11      34.8410      0.00000
     12      37.8045      0.00000

 k-point   156 :       0.0385    0.0385    0.0769
  band No.  band energies     occupation 
      1     -11.6371      2.00000
      2       9.1921      2.00000
      3       9.3613      2.00000
      4       9.7426      2.00000
      5      15.5214      0.00000
      6      15.7570      0.00000
      7      15.9145      0.00000
      8      23.3019      0.00000
      9      29.3333      0.00000
     10      34.3064      0.00000
     11      35.2167      0.00000
     12      37.6583      0.00000

 k-point   157 :       0.0288    0.0288    0.0577
  band No.  band energies     occupation 
      1     -11.6851      2.00000
      2       9.4471      2.00000
      3       9.5502      2.00000
      4       9.7721      2.00000
      5      15.4725      0.00000
      6      15.6113      0.00000
      7      15.7095      0.00000
      8      23.2617      0.00000
      9      29.2497      0.00000
     10      34.8786      0.00000
     11      35.5926      0.00000
     12      37.5450      0.00000

 k-point   158 :       0.0192    0.0192    0.0385
  band No.  band energies     occupation 
      1     -11.7193      2.00000
      2       9.6430      2.00000
      3       9.6918      2.00000
      4       9.7930      2.00000
      5      15.4375      0.00000
      6      15.5014      0.00000
      7      15.5486      0.00000
      8      23.2319      0.00000
      9      29.1884      0.00000
     10      35.4682      0.00000
     11      35.9496      0.00000
     12      37.4643      0.00000

 k-point   159 :       0.0096    0.0096    0.0192
  band No.  band energies     occupation 
      1     -11.7399      2.00000
      2       9.7671      2.00000
      3       9.7798      2.00000
      4       9.8055      2.00000
      5      15.4165      0.00000
      6      15.4328      0.00000
      7      15.4452      0.00000
      8      23.2136      0.00000
      9      29.1509      0.00000
     10      36.0410      0.00000
     11      36.2458      0.00000
     12      37.4160      0.00000

 k-point   160 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7467      2.00000
      2       9.8097      2.00000
      3       9.8097      2.00000
      4       9.8097      2.00000
      5      15.4095      0.00000
      6      15.4095      0.00000
      7      15.4095      0.00000
      8      23.2074      0.00000
      9      29.1383      0.00000
     10      36.3772      0.00000
     11      36.3774      0.00000
     12      37.3998      0.00000

 k-point   161 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7467      2.00000
      2       9.8097      2.00000
      3       9.8097      2.00000
      4       9.8097      2.00000
      5      15.4095      0.00000
      6      15.4095      0.00000
      7      15.4095      0.00000
      8      23.2074      0.00000
      9      29.1383      0.00000
     10      36.3772      0.00000
     11      36.3772      0.00000
     12      37.3998      0.00000

 k-point   162 :       0.0128    0.0128    0.0128
  band No.  band energies     occupation 
      1     -11.7422      2.00000
      2       9.7755      2.00000
      3       9.8012      2.00000
      4       9.8012      2.00000
      5      15.4206      0.00000
      6      15.4206      0.00000
      7      15.4314      0.00000
      8      23.2115      0.00000
      9      29.1467      0.00000
     10      36.2075      0.00000
     11      36.2076      0.00000
     12      37.3789      0.00000

 k-point   163 :       0.0256    0.0256    0.0256
  band No.  band energies     occupation 
      1     -11.7285      2.00000
      2       9.6748      2.00000
      3       9.7760      2.00000
      4       9.7760      2.00000
      5      15.4536      0.00000
      6      15.4536      0.00000
      7      15.4954      0.00000
      8      23.2239      0.00000
      9      29.1718      0.00000
     10      35.8670      0.00000
     11      35.8671      0.00000
     12      37.3176      0.00000

 k-point   164 :       0.0385    0.0385    0.0385
  band No.  band energies     occupation 
      1     -11.7056      2.00000
      2       9.5129      2.00000
      3       9.7348      2.00000
      4       9.7348      2.00000
      5      15.5076      0.00000
      6      15.5076      0.00000
      7      15.5963      0.00000
      8      23.2446      0.00000
      9      29.2129      0.00000
     10      35.4918      0.00000
     11      35.4919      0.00000
     12      37.2207      0.00000

 k-point   165 :       0.0513    0.0513    0.0513
  band No.  band energies     occupation 
      1     -11.6737      2.00000
      2       9.2971      2.00000
      3       9.6789      2.00000
      4       9.6789      2.00000
      5      15.5811      0.00000
      6      15.5811      0.00000
      7      15.7270      0.00000
      8      23.2735      0.00000
      9      29.2693      0.00000
     10      35.1179      0.00000
     11      35.1179      0.00000
     12      37.0940      0.00000

 k-point   166 :       0.0641    0.0641    0.0641
  band No.  band energies     occupation 
      1     -11.6326      2.00000
      2       9.0355      2.00000
      3       9.6097      2.00000
      4       9.6097      2.00000
      5      15.6723      0.00000
      6      15.6723      0.00000
      7      15.8797      0.00000
      8      23.3106      0.00000
      9      29.3397      0.00000
     10      34.7566      0.00000
     11      34.7566      0.00000
     12      36.9452      0.00000

 k-point   167 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1     -11.5824      2.00000
      2       8.7345      2.00000
      3       9.5270      2.00000
      4       9.5270      2.00000
      5      15.7781      0.00000
      6      15.7781      0.00000
      7      16.0344      0.00000
      8      23.3519      0.00000
      9      29.4182      0.00000
     10      34.4116      0.00000
     11      34.4116      0.00000
     12      36.7808      0.00000

 k-point   168 :       0.0897    0.0897    0.0897
  band No.  band energies     occupation 
      1     -11.5231      2.00000
      2       8.4036      2.00000
      3       9.4363      2.00000
      4       9.4363      2.00000
      5      15.8982      0.00000
      6      15.8982      0.00000
      7      16.2094      0.00000
      8      23.4042      0.00000
      9      29.5104      0.00000
     10      34.0875      0.00000
     11      34.0875      0.00000
     12      36.6099      0.00000

 k-point   169 :       0.1026    0.1026    0.1026
  band No.  band energies     occupation 
      1     -11.4548      2.00000
      2       8.0420      2.00000
      3       9.3366      2.00000
      4       9.3366      2.00000
      5      16.0248      0.00000
      6      16.0248      0.00000
      7      16.3868      0.00000
      8      23.4607      0.00000
      9      29.6075      0.00000
     10      33.7841      0.00000
     11      33.7841      0.00000
     12      36.4356      0.00000

 k-point   170 :       0.1154    0.1154    0.1154
  band No.  band energies     occupation 
      1     -11.3773      2.00000
      2       7.6606      2.00000
      3       9.2312      2.00000
      4       9.2312      2.00000
      5      16.1661      0.00000
      6      16.1661      0.00000
      7      16.5716      0.00000
      8      23.5218      0.00000
      9      29.7147      0.00000
     10      33.5052      0.00000
     11      33.5052      0.00000
     12      36.2685      0.00000

 k-point   171 :       0.1282    0.1282    0.1282
  band No.  band energies     occupation 
      1     -11.2909      2.00000
      2       7.2674      2.00000
      3       9.1212      2.00000
      4       9.1212      2.00000
      5      16.3112      0.00000
      6      16.3112      0.00000
      7      16.7448      0.00000
      8      23.5945      0.00000
      9      29.8239      0.00000
     10      33.2506      0.00000
     11      33.2506      0.00000
     12      36.1074      0.00000

 k-point   172 :       0.1410    0.1410    0.1410
  band No.  band energies     occupation 
      1     -11.1955      2.00000
      2       6.8612      2.00000
      3       9.0079      2.00000
      4       9.0079      2.00000
      5      16.4603      0.00000
      6      16.4603      0.00000
      7      16.9119      0.00000
      8      23.6738      0.00000
      9      29.9333      0.00000
     10      33.0214      0.00000
     11      33.0214      0.00000
     12      35.9581      0.00000

 k-point   173 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1     -11.0911      2.00000
      2       6.4446      2.00000
      3       8.8924      2.00000
      4       8.8924      2.00000
      5      16.6112      0.00000
      6      16.6112      0.00000
      7      17.0714      0.00000
      8      23.7591      0.00000
      9      30.0402      0.00000
     10      32.8189      0.00000
     11      32.8189      0.00000
     12      35.8233      0.00000

 k-point   174 :       0.1667    0.1667    0.1667
  band No.  band energies     occupation 
      1     -10.9777      2.00000
      2       6.0199      2.00000
      3       8.7759      2.00000
      4       8.7759      2.00000
      5      16.7620      0.00000
      6      16.7620      0.00000
      7      17.2222      0.00000
      8      23.8499      0.00000
      9      30.1418      0.00000
     10      32.6438      0.00000
     11      32.6438      0.00000
     12      35.7052      0.00000

 k-point   175 :       0.1795    0.1795    0.1795
  band No.  band energies     occupation 
      1     -10.8555      2.00000
      2       5.5891      2.00000
      3       8.6593      2.00000
      4       8.6593      2.00000
      5      16.9107      0.00000
      6      16.9107      0.00000
      7      17.3638      0.00000
      8      23.9455      0.00000
      9      30.2359      0.00000
     10      32.4973      0.00000
     11      32.4973      0.00000
     12      35.6054      0.00000

 k-point   176 :       0.1923    0.1923    0.1923
  band No.  band energies     occupation 
      1     -10.7244      2.00000
      2       5.1539      2.00000
      3       8.5436      2.00000
      4       8.5436      2.00000
      5      17.0557      0.00000
      6      17.0557      0.00000
      7      17.4959      0.00000
      8      24.0452      0.00000
      9      30.3208      0.00000
     10      32.3800      0.00000
     11      32.3800      0.00000
     12      35.5240      0.00000

 k-point   177 :       0.2051    0.2051    0.2051
  band No.  band energies     occupation 
      1     -10.5845      2.00000
      2       4.7145      2.00000
      3       8.4237      2.00000
      4       8.4237      2.00000
      5      17.1936      0.00000
      6      17.1936      0.00000
      7      17.6166      0.00000
      8      24.1366      0.00000
      9      30.3950      0.00000
     10      32.2909      0.00000
     11      32.2909      0.00000
     12      35.4602      0.00000

 k-point   178 :       0.2179    0.2179    0.2179
  band No.  band energies     occupation 
      1     -10.4359      2.00000
      2       4.2746      2.00000
      3       8.3114      2.00000
      4       8.3114      2.00000
      5      17.3266      0.00000
      6      17.3266      0.00000
      7      17.7300      0.00000
      8      24.2406      0.00000
      9      30.4589      0.00000
     10      32.2344      0.00000
     11      32.2344      0.00000
     12      35.4131      0.00000

 k-point   179 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1     -10.2786      2.00000
      2       3.8341      2.00000
      3       8.2018      2.00000
      4       8.2018      2.00000
      5      17.4517      0.00000
      6      17.4517      0.00000
      7      17.8345      0.00000
      8      24.3459      0.00000
      9      30.5128      0.00000
     10      32.2089      0.00000
     11      32.2089      0.00000
     12      35.3798      0.00000

 k-point   180 :       0.2436    0.2436    0.2436
  band No.  band energies     occupation 
      1     -10.1128      2.00000
      2       3.3939      2.00000
      3       8.0942      2.00000
      4       8.0942      2.00000
      5      17.5558      0.00000
      6      17.5558      0.00000
      7      17.9304      0.00000
      8      24.4489      0.00000
      9      30.5563      0.00000
     10      32.2140      0.00000
     11      32.2140      0.00000
     12      35.3569      0.00000

 k-point   181 :       0.2564    0.2564    0.2564
  band No.  band energies     occupation 
      1      -9.9384      2.00000
      2       2.9549      2.00000
      3       7.9914      2.00000
      4       7.9914      2.00000
      5      17.6625      0.00000
      6      17.6625      0.00000
      7      18.0182      0.00000
      8      24.5536      0.00000
      9      30.5949      0.00000
     10      32.2503      0.00000
     11      32.2503      0.00000
     12      35.3411      0.00000

 k-point   182 :       0.2692    0.2692    0.2692
  band No.  band energies     occupation 
      1      -9.7557      2.00000
      2       2.5180      2.00000
      3       7.8924      2.00000
      4       7.8924      2.00000
      5      17.7595      0.00000
      6      17.7595      0.00000
      7      18.0985      0.00000
      8      24.6566      0.00000
      9      30.6292      0.00000
     10      32.3172      0.00000
     11      32.3172      0.00000
     12      35.3280      0.00000

 k-point   183 :       0.2821    0.2821    0.2821
  band No.  band energies     occupation 
      1      -9.5647      2.00000
      2       2.0837      2.00000
      3       7.7977      2.00000
      4       7.7977      2.00000
      5      17.8465      0.00000
      6      17.8465      0.00000
      7      18.1717      0.00000
      8      24.7567      0.00000
      9      30.6619      0.00000
     10      32.4139      0.00000
     11      32.4139      0.00000
     12      35.3139      0.00000

 k-point   184 :       0.2949    0.2949    0.2949
  band No.  band energies     occupation 
      1      -9.3657      2.00000
      2       1.6530      2.00000
      3       7.7075      2.00000
      4       7.7075      2.00000
      5      17.9235      0.00000
      6      17.9235      0.00000
      7      18.2384      0.00000
      8      24.8530      0.00000
      9      30.6957      0.00000
     10      32.5394      0.00000
     11      32.5394      0.00000
     12      35.2950      0.00000

 k-point   185 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1      -9.1587      2.00000
      2       1.2263      2.00000
      3       7.6220      2.00000
      4       7.6220      2.00000
      5      17.9908      0.00000
      6      17.9908      0.00000
      7      18.2990      0.00000
      8      24.9445      0.00000
      9      30.7329      0.00000
     10      32.6924      0.00000
     11      32.6924      0.00000
     12      35.2682      0.00000

 k-point   186 :       0.3205    0.3205    0.3205
  band No.  band energies     occupation 
      1      -8.9440      2.00000
      2       0.8045      2.00000
      3       7.5413      2.00000
      4       7.5413      2.00000
      5      18.0487      0.00000
      6      18.0487      0.00000
      7      18.3539      0.00000
      8      25.0304      0.00000
      9      30.7757      0.00000
     10      32.8713      0.00000
     11      32.8713      0.00000
     12      35.2312      0.00000

 k-point   187 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.7219      2.00000
      2       0.3880      2.00000
      3       7.4657      2.00000
      4       7.4657      2.00000
      5      18.0978      0.00000
      6      18.0978      0.00000
      7      18.4036      0.00000
      8      25.1100      0.00000
      9      30.8257      0.00000
     10      33.0738      0.00000
     11      33.0738      0.00000
     12      35.1822      0.00000

 k-point   188 :       0.3462    0.3462    0.3462
  band No.  band energies     occupation 
      1      -8.4928      2.00000
      2      -0.0222      2.00000
      3       7.3953      2.00000
      4       7.3953      2.00000
      5      18.1389      0.00000
      6      18.1389      0.00000
      7      18.4483      0.00000
      8      25.1829      0.00000
      9      30.8843      0.00000
     10      33.2976      0.00000
     11      33.2977      0.00000
     12      35.1206      0.00000

 k-point   189 :       0.3590    0.3590    0.3590
  band No.  band energies     occupation 
      1      -8.2572      2.00000
      2      -0.4253      2.00000
      3       7.3302      2.00000
      4       7.3302      2.00000
      5      18.1726      0.00000
      6      18.1726      0.00000
      7      18.4885      0.00000
      8      25.2504      0.00000
      9      30.9546      0.00000
     10      33.5398      0.00000
     11      33.5399      0.00000
     12      35.0472      0.00000

 k-point   190 :       0.3718    0.3718    0.3718
  band No.  band energies     occupation 
      1      -8.0155      2.00000
      2      -0.8209      2.00000
      3       7.2704      2.00000
      4       7.2704      2.00000
      5      18.1999      0.00000
      6      18.1999      0.00000
      7      18.5244      0.00000
      8      25.3087      0.00000
      9      31.0318      0.00000
     10      33.7969      0.00000
     11      33.7969      0.00000
     12      34.9590      0.00000

 k-point   191 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation 
      1      -7.7688      2.00000
      2      -1.2076      2.00000
      3       7.2162      2.00000
      4       7.2162      2.00000
      5      18.2215      0.00000
      6      18.2215      0.00000
      7      18.5563      0.00000
      8      25.3598      0.00000
      9      31.1177      0.00000
     10      34.0648      0.00000
     11      34.0649      0.00000
     12      34.8614      0.00000

 k-point   192 :       0.3974    0.3974    0.3974
  band No.  band energies     occupation 
      1      -7.5180      2.00000
      2      -1.5841      2.00000
      3       7.1675      2.00000
      4       7.1675      2.00000
      5      18.2384      0.00000
      6      18.2384      0.00000
      7      18.5843      0.00000
      8      25.4039      0.00000
      9      31.2112      0.00000
     10      34.3388      0.00000
     11      34.3388      0.00000
     12      34.7542      0.00000

 k-point   193 :       0.4103    0.4103    0.4103
  band No.  band energies     occupation 
      1      -7.2650      2.00000
      2      -1.9484      2.00000
      3       7.1245      2.00000
      4       7.1245      2.00000
      5      18.2512      0.00000
      6      18.2512      0.00000
      7      18.6088      0.00000
      8      25.4413      0.00000
      9      31.3103      0.00000
     10      34.6131      0.00000
     11      34.6131      0.00000
     12      34.6412      0.00000

 k-point   194 :       0.4231    0.4231    0.4231
  band No.  band energies     occupation 
      1      -7.0122      2.00000
      2      -2.2980      2.00000
      3       7.0871      2.00000
      4       7.0871      2.00000
      5      18.2608      0.00000
      6      18.2608      0.00000
      7      18.6297      0.00000
      8      25.4724      0.00000
      9      31.4123      0.00000
     10      34.5259      0.00000
     11      34.8809      0.00000
     12      34.8809      0.00000

 k-point   195 :       0.4359    0.4359    0.4359
  band No.  band energies     occupation 
      1      -6.7635      2.00000
      2      -2.6295      2.00000
      3       7.0548      2.00000
      4       7.0548      2.00000
      5      18.2621      0.00000
      6      18.2621      0.00000
      7      18.6468      0.00000
      8      25.4952      0.00000
      9      31.4922      0.00000
     10      34.4008      0.00000
     11      35.1249      0.00000
     12      35.1249      0.00000

 k-point   196 :       0.4487    0.4487    0.4487
  band No.  band energies     occupation 
      1      -6.5246      2.00000
      2      -2.9366      2.00000
      3       7.0297      2.00000
      4       7.0297      2.00000
      5      18.2667      0.00000
      6      18.2667      0.00000
      7      18.6619      0.00000
      8      25.5241      0.00000
      9      31.5655      0.00000
     10      34.3166      0.00000
     11      35.3522      0.00000
     12      35.3522      0.00000

 k-point   197 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation 
      1      -6.3056      2.00000
      2      -3.2081      2.00000
      3       7.0094      2.00000
      4       7.0094      2.00000
      5      18.2698      0.00000
      6      18.2698      0.00000
      7      18.6726      0.00000
      8      25.5386      0.00000
      9      31.6470      0.00000
     10      34.2241      0.00000
     11      35.5456      0.00000
     12      35.5456      0.00000

 k-point   198 :       0.4744    0.4744    0.4744
  band No.  band energies     occupation 
      1      -6.1217      2.00000
      2      -3.4295      2.00000
      3       6.9949      2.00000
      4       6.9949      2.00000
      5      18.2717      0.00000
      6      18.2717      0.00000
      7      18.6801      0.00000
      8      25.5487      0.00000
      9      31.7116      0.00000
     10      34.1513      0.00000
     11      35.6938      0.00000
     12      35.6938      0.00000

 k-point   199 :       0.4872    0.4872    0.4872
  band No.  band energies     occupation 
      1      -5.9951      2.00000
      2      -3.5787      2.00000
      3       6.9862      2.00000
      4       6.9862      2.00000
      5      18.2727      0.00000
      6      18.2727      0.00000
      7      18.6847      0.00000
      8      25.5547      0.00000
      9      31.7534      0.00000
     10      34.1045      0.00000
     11      35.7874      0.00000
     12      35.7874      0.00000

 k-point   200 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9492      2.00000
      2      -3.6321      2.00000
      3       6.9833      2.00000
      4       6.9833      2.00000
      5      18.2731      0.00000
      6      18.2731      0.00000
      7      18.6862      0.00000
      8      25.5566      0.00000
      9      31.7679      0.00000
     10      34.0883      0.00000
     11      35.8194      0.00000
     12      35.8194      0.00000

 k-point   201 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9492      2.00000
      2      -3.6321      2.00000
      3       6.9833      2.00000
      4       6.9833      2.00000
      5      18.2731      0.00000
      6      18.2731      0.00000
      7      18.6862      0.00000
      8      25.5566      0.00000
      9      31.7679      0.00000
     10      34.0883      0.00000
     11      35.8194      0.00000
     12      35.8194      0.00000

 k-point   202 :       0.5032    0.4936    0.5032
  band No.  band energies     occupation 
      1      -5.9472      2.00000
      2      -3.6299      2.00000
      3       6.9726      2.00000
      4       6.9793      2.00000
      5      18.2706      0.00000
      6      18.2807      0.00000
      7      18.6937      0.00000
      8      25.5570      0.00000
      9      31.7577      0.00000
     10      34.0899      0.00000
     11      35.8148      0.00000
     12      35.8233      0.00000

 k-point   203 :       0.5064    0.4872    0.5064
  band No.  band energies     occupation 
      1      -5.9411      2.00000
      2      -3.6236      2.00000
      3       6.9408      2.00000
      4       6.9675      2.00000
      5      18.2623      0.00000
      6      18.3034      0.00000
      7      18.7173      0.00000
      8      25.5578      0.00000
      9      31.7271      0.00000
     10      34.0945      0.00000
     11      35.8009      0.00000
     12      35.8355      0.00000

 k-point   204 :       0.5096    0.4808    0.5096
  band No.  band energies     occupation 
      1      -5.9310      2.00000
      2      -3.6131      2.00000
      3       6.8881      2.00000
      4       6.9478      2.00000
      5      18.2464      0.00000
      6      18.3412      0.00000
      7      18.7585      0.00000
      8      25.5588      0.00000
      9      31.6763      0.00000
     10      34.1019      0.00000
     11      35.7782      0.00000
     12      35.8574      0.00000

 k-point   205 :       0.5128    0.4744    0.5128
  band No.  band energies     occupation 
      1      -5.9169      2.00000
      2      -3.5983      2.00000
      3       6.8152      2.00000
      4       6.9206      2.00000
      5      18.2209      0.00000
      6      18.3937      0.00000
      7      18.8191      0.00000
      8      25.5596      0.00000
      9      31.6054      0.00000
     10      34.1117      0.00000
     11      35.7470      0.00000
     12      35.8913      0.00000

 k-point   206 :       0.5160    0.4679    0.5160
  band No.  band energies     occupation 
      1      -5.8987      2.00000
      2      -3.5794      2.00000
      3       6.7228      2.00000
      4       6.8862      2.00000
      5      18.1852      0.00000
      6      18.4607      0.00000
      7      18.8995      0.00000
      8      25.5593      0.00000
      9      31.5147      0.00000
     10      34.1234      0.00000
     11      35.7079      0.00000
     12      35.9398      0.00000

 k-point   207 :       0.5192    0.4615    0.5192
  band No.  band energies     occupation 
      1      -5.8766      2.00000
      2      -3.5563      2.00000
      3       6.6090      2.00000
      4       6.8444      2.00000
      5      18.1387      0.00000
      6      18.5415      0.00000
      7      18.9983      0.00000
      8      25.5572      0.00000
      9      31.4046      0.00000
     10      34.1352      0.00000
     11      35.6617      0.00000
     12      36.0035      0.00000

 k-point   208 :       0.5224    0.4551    0.5224
  band No.  band energies     occupation 
      1      -5.8503      2.00000
      2      -3.5291      2.00000
      3       6.4817      2.00000
      4       6.7968      2.00000
      5      18.0933      0.00000
      6      18.6402      0.00000
      7      19.1169      0.00000
      8      25.5564      0.00000
      9      31.2784      0.00000
     10      34.1504      0.00000
     11      35.6134      0.00000
     12      36.1007      0.00000

 k-point   209 :       0.5256    0.4487    0.5256
  band No.  band energies     occupation 
      1      -5.8201      2.00000
      2      -3.4975      2.00000
      3       6.3376      2.00000
      4       6.7427      2.00000
      5      18.0320      0.00000
      6      18.7483      0.00000
      7      19.2515      0.00000
      8      25.5484      0.00000
      9      31.1394      0.00000
     10      34.1705      0.00000
     11      35.5560      0.00000
     12      36.2158      0.00000

 k-point   210 :       0.5288    0.4423    0.5288
  band No.  band energies     occupation 
      1      -5.7859      2.00000
      2      -3.4621      2.00000
      3       6.1765      2.00000
      4       6.6812      2.00000
      5      17.9599      0.00000
      6      18.8673      0.00000
      7      19.4010      0.00000
      8      25.5354      0.00000
      9      30.9804      0.00000
     10      34.1862      0.00000
     11      35.4911      0.00000
     12      36.3412      0.00000

 k-point   211 :       0.5321    0.4359    0.5321
  band No.  band energies     occupation 
      1      -5.7476      2.00000
      2      -3.4224      2.00000
      3       6.0035      2.00000
      4       6.6164      2.00000
      5      17.8840      0.00000
      6      18.9996      0.00000
      7      19.5661      0.00000
      8      25.5164      0.00000
      9      30.8158      0.00000
     10      34.2069      0.00000
     11      35.4283      0.00000
     12      36.4916      0.00000

 k-point   212 :       0.5353    0.4295    0.5353
  band No.  band energies     occupation 
      1      -5.7054      2.00000
      2      -3.3789      2.00000
      3       5.8175      2.00000
      4       6.5469      2.00000
      5      17.7995      0.00000
      6      19.1418      0.00000
      7      19.7421      0.00000
      8      25.4859      0.00000
      9      30.6347      0.00000
     10      34.2174      0.00000
     11      35.3591      0.00000
     12      36.6619      0.00000

 k-point   213 :       0.5385    0.4231    0.5385
  band No.  band energies     occupation 
      1      -5.6591      2.00000
      2      -3.3316      2.00000
      3       5.6208      2.00000
      4       6.4732      2.00000
      5      17.7112      0.00000
      6      19.2942      0.00000
      7      19.9300      0.00000
      8      25.4513      0.00000
      9      30.4469      0.00000
     10      34.2365      0.00000
     11      35.2882      0.00000
     12      36.8542      0.00000

 k-point   214 :       0.5417    0.4167    0.5417
  band No.  band energies     occupation 
      1      -5.6089      2.00000
      2      -3.2803      2.00000
      3       5.4140      2.00000
      4       6.3960      2.00000
      5      17.6191      0.00000
      6      19.4560      0.00000
      7      20.1283      0.00000
      8      25.4072      0.00000
      9      30.2547      0.00000
     10      34.2563      0.00000
     11      35.2166      0.00000
     12      37.0678      0.00000

 k-point   215 :       0.5449    0.4103    0.5449
  band No.  band energies     occupation 
      1      -5.5548      2.00000
      2      -3.2252      2.00000
      3       5.1984      2.00000
      4       6.3157      2.00000
      5      17.5241      0.00000
      6      19.6267      0.00000
      7      20.3357      0.00000
      8      25.3524      0.00000
      9      30.0606      0.00000
     10      34.2767      0.00000
     11      35.1453      0.00000
     12      37.3016      0.00000

 k-point   216 :       0.5481    0.4038    0.5481
  band No.  band energies     occupation 
      1      -5.4967      2.00000
      2      -3.1664      2.00000
      3       4.9749      2.00000
      4       6.2329      2.00000
      5      17.4269      0.00000
      6      19.8052      0.00000
      7      20.5512      0.00000
      8      25.2860      0.00000
      9      29.8672      0.00000
     10      34.2978      0.00000
     11      35.0751      0.00000
     12      37.5548      0.00000

 k-point   217 :       0.5513    0.3974    0.5513
  band No.  band energies     occupation 
      1      -5.4346      2.00000
      2      -3.1040      2.00000
      3       4.7446      2.00000
      4       6.1480      2.00000
      5      17.3282      0.00000
      6      19.9909      0.00000
      7      20.7739      0.00000
      8      25.2070      0.00000
      9      29.6768      0.00000
     10      34.3193      0.00000
     11      35.0067      0.00000
     12      37.8259      0.00000

 k-point   218 :       0.5545    0.3910    0.5545
  band No.  band energies     occupation 
      1      -5.3687      2.00000
      2      -3.0381      2.00000
      3       4.5086      2.00000
      4       6.0614      2.00000
      5      17.2284      0.00000
      6      20.1830      0.00000
      7      21.0029      0.00000
      8      25.1148      0.00000
      9      29.4916      0.00000
     10      34.3410      0.00000
     11      34.9412      0.00000
     12      38.1139      0.00000

 k-point   219 :       0.5577    0.3846    0.5577
  band No.  band energies     occupation 
      1      -5.2989      2.00000
      2      -2.9686      2.00000
      3       4.2677      2.00000
      4       5.9736      2.00000
      5      17.1265      0.00000
      6      20.3800      0.00000
      7      21.2354      0.00000
      8      25.0064      0.00000
      9      29.3176      0.00000
     10      34.3539      0.00000
     11      34.8784      0.00000
     12      38.4182      0.00000

 k-point   220 :       0.5609    0.3782    0.5609
  band No.  band energies     occupation 
      1      -5.2252      2.00000
      2      -2.8961      2.00000
      3       4.0243      2.00000
      4       5.8851      2.00000
      5      17.0271      0.00000
      6      20.5822      0.00000
      7      21.4768      0.00000
      8      24.8904      0.00000
      9      29.1498      0.00000
     10      34.3750      0.00000
     11      34.8209      0.00000
     12      38.7371      0.00000

 k-point   221 :       0.5641    0.3718    0.5641
  band No.  band energies     occupation 
      1      -5.1478      2.00000
      2      -2.8206      2.00000
      3       3.7762      2.00000
      4       5.7962      2.00000
      5      16.9275      0.00000
      6      20.7882      0.00000
      7      21.7190      0.00000
      8      24.7557      0.00000
      9      28.9901      0.00000
     10      34.3950      0.00000
     11      34.7686      0.00000
     12      39.0673      0.00000

 k-point   222 :       0.5673    0.3654    0.5673
  band No.  band energies     occupation 
      1      -5.0665      2.00000
      2      -2.7423      2.00000
      3       3.5259      2.00000
      4       5.7073      2.00000
      5      16.8287      0.00000
      6      20.9972      0.00000
      7      21.9636      0.00000
      8      24.6074      0.00000
      9      28.8413      0.00000
     10      34.4142      0.00000
     11      34.7223      0.00000
     12      39.4082      0.00000

 k-point   223 :       0.5705    0.3590    0.5705
  band No.  band energies     occupation 
      1      -4.9815      2.00000
      2      -2.6616      2.00000
      3       3.2742      2.00000
      4       5.6188      2.00000
      5      16.7313      0.00000
      6      21.2083      0.00000
      7      22.2094      0.00000
      8      24.4465      0.00000
      9      28.7040      0.00000
     10      34.4324      0.00000
     11      34.6827      0.00000
     12      39.7584      0.00000

 k-point   224 :       0.5737    0.3526    0.5737
  band No.  band energies     occupation 
      1      -4.8929      2.00000
      2      -2.5787      2.00000
      3       3.0221      2.00000
      4       5.5276      2.00000
      5      16.6351      0.00000
      6      21.4154      0.00000
      7      22.4509      0.00000
      8      24.2701      0.00000
      9      28.5727      0.00000
     10      34.4379      0.00000
     11      34.6500      0.00000
     12      40.1151      0.00000

 k-point   225 :       0.5769    0.3462    0.5769
  band No.  band energies     occupation 
      1      -4.8006      2.00000
      2      -2.4941      2.00000
      3       2.7704      2.00000
      4       5.4407      2.00000
      5      16.5412      0.00000
      6      21.6277      0.00000
      7      22.6931      0.00000
      8      24.0899      0.00000
      9      28.4592      0.00000
     10      34.4532      0.00000
     11      34.6263      0.00000
     12      40.4771      0.00000

 k-point   226 :       0.5801    0.3397    0.5801
  band No.  band energies     occupation 
      1      -4.7049      2.00000
      2      -2.4083      2.00000
      3       2.5200      2.00000
      4       5.3551      2.00000
      5      16.4487      0.00000
      6      21.8331      0.00000
      7      22.9264      0.00000
      8      23.9053      0.00000
      9      28.3577      0.00000
     10      34.4630      0.00000
     11      34.6092      0.00000
     12      40.8412      0.00000

 k-point   227 :       0.5833    0.3333    0.5833
  band No.  band energies     occupation 
      1      -4.6056      2.00000
      2      -2.3220      2.00000
      3       2.2725      2.00000
      4       5.2710      2.00000
      5      16.3593      0.00000
      6      22.0428      0.00000
      7      23.1305      0.00000
      8      23.7412      0.00000
      9      28.2687      0.00000
     10      34.4741      0.00000
     11      34.6044      0.00000
     12      41.2050      0.00000

 k-point   228 :       0.5865    0.3269    0.5865
  band No.  band energies     occupation 
      1      -4.5030      2.00000
      2      -2.2360      2.00000
      3       2.0289      2.00000
      4       5.1886      2.00000
      5      16.2725      0.00000
      6      22.2500      0.00000
      7      23.2210      0.00000
      8      23.6800      0.00000
      9      28.1921      0.00000
     10      34.4828      0.00000
     11      34.6100      0.00000
     12      41.5651      0.00000

 k-point   229 :       0.5897    0.3205    0.5897
  band No.  band energies     occupation 
      1      -4.3972      2.00000
      2      -2.1515      2.00000
      3       1.7907      2.00000
      4       5.1082      2.00000
      5      16.1885      0.00000
      6      22.4538      0.00000
      7      23.1118      0.00000
      8      23.8075      0.00000
      9      28.1280      0.00000
     10      34.4888      0.00000
     11      34.6269      0.00000
     12      41.9179      0.00000

 k-point   230 :       0.5929    0.3141    0.5929
  band No.  band energies     occupation 
      1      -4.2884      2.00000
      2      -2.0700      2.00000
      3       1.5600      2.00000
      4       5.0300      2.00000
      5      16.1075      0.00000
      6      22.6532      0.00000
      7      22.9166      0.00000
      8      24.0099      0.00000
      9      28.0770      0.00000
     10      34.4919      0.00000
     11      34.6557      0.00000
     12      42.2593      0.00000

 k-point   231 :       0.5962    0.3077    0.5962
  band No.  band energies     occupation 
      1      -4.1767      2.00000
      2      -1.9927      2.00000
      3       1.3383      2.00000
      4       4.9548      2.00000
      5      16.0295      0.00000
      6      22.7022      0.00000
      7      22.8534      0.00000
      8      24.2190      0.00000
      9      28.0443      0.00000
     10      34.4968      0.00000
     11      34.7042      0.00000
     12      42.5880      0.00000

 k-point   232 :       0.5994    0.3013    0.5994
  band No.  band energies     occupation 
      1      -4.0628      2.00000
      2      -1.9235      2.00000
      3       1.1303      2.00000
      4       4.8815      2.00000
      5      15.9547      0.00000
      6      22.4719      0.00000
      7      23.0414      0.00000
      8      24.4311      0.00000
      9      28.0217      0.00000
     10      34.4932      0.00000
     11      34.7584      0.00000
     12      42.8930      0.00000

 k-point   233 :       0.6026    0.2949    0.6026
  band No.  band energies     occupation 
      1      -3.9469      2.00000
      2      -1.8650      2.00000
      3       0.9389      2.00000
      4       4.8109      2.00000
      5      15.8832      0.00000
      6      22.2364      0.00000
      7      23.2224      0.00000
      8      24.6338      0.00000
      9      28.0158      0.00000
     10      34.4859      0.00000
     11      34.8264      0.00000
     12      43.1720      0.00000

 k-point   234 :       0.6058    0.2885    0.6058
  band No.  band energies     occupation 
      1      -3.8297      2.00000
      2      -1.8210      2.00000
      3       0.7689      2.00000
      4       4.7431      2.00000
      5      15.8151      0.00000
      6      21.9981      0.00000
      7      23.3956      0.00000
      8      24.8231      0.00000
      9      28.0282      0.00000
     10      34.4748      0.00000
     11      34.9086      0.00000
     12      43.4201      0.00000

 k-point   235 :       0.6090    0.2821    0.6090
  band No.  band energies     occupation 
      1      -3.7122      2.00000
      2      -1.7957      2.00000
      3       0.6256      2.00000
      4       4.6783      2.00000
      5      15.7504      0.00000
      6      21.7587      0.00000
      7      23.5601      0.00000
      8      24.9954      0.00000
      9      28.0610      0.00000
     10      34.4596      0.00000
     11      35.0055      0.00000
     12      43.6332      0.00000

 k-point   236 :       0.6122    0.2756    0.6122
  band No.  band energies     occupation 
      1      -3.5958      2.00000
      2      -1.7931      2.00000
      3       0.5144      2.00000
      4       4.6179      2.00000
      5      15.6878      0.00000
      6      21.5194      0.00000
      7      23.7205      0.00000
      8      25.1367      0.00000
      9      28.1190      0.00000
     10      34.4251      0.00000
     11      35.1217      0.00000
     12      43.8077      0.00000

 k-point   237 :       0.6154    0.2692    0.6154
  band No.  band energies     occupation 
      1      -3.4830      2.00000
      2      -1.8146      2.00000
      3       0.4392      2.00000
      4       4.5593      2.00000
      5      15.6300      0.00000
      6      21.2806      0.00000
      7      23.8655      0.00000
      8      25.2662      0.00000
      9      28.1967      0.00000
     10      34.4007      0.00000
     11      35.2490      0.00000
     12      43.9432      0.00000

 k-point   238 :       0.6186    0.2628    0.6186
  band No.  band energies     occupation 
      1      -3.3773      2.00000
      2      -1.8581      2.00000
      3       0.4028      2.00000
      4       4.5041      2.00000
      5      15.5759      0.00000
      6      21.0475      0.00000
      7      24.0014      0.00000
      8      25.3723      0.00000
      9      28.2982      0.00000
     10      34.3745      0.00000
     11      35.3916      0.00000
     12      44.0457      0.00000

 k-point   239 :       0.6218    0.2564    0.6218
  band No.  band energies     occupation 
      1      -3.2853      2.00000
      2      -1.9159      2.00000
      3       0.4018      2.00000
      4       4.4524      2.00000
      5      15.5249      0.00000
      6      20.8126      0.00000
      7      24.1251      0.00000
      8      25.4546      0.00000
      9      28.4227      0.00000
     10      34.3409      0.00000
     11      35.5493      0.00000
     12      44.1058      0.00000

 k-point   240 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1332      0.00000

 k-point   241 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1331      0.00000

 k-point   242 :       0.6218    0.2500    0.6282
  band No.  band energies     occupation 
      1      -3.2159      2.00000
      2      -1.9742      2.00000
      3       0.4339      2.00000
      4       4.4002      2.00000
      5      15.4827      0.00000
      6      20.5812      0.00000
      7      24.2344      0.00000
      8      25.5103      0.00000
      9      28.5716      0.00000
     10      34.2926      0.00000
     11      35.7346      0.00000
     12      44.1265      0.00000

 k-point   243 :       0.6186    0.2500    0.6314
  band No.  band energies     occupation 
      1      -3.2139      2.00000
      2      -1.9734      2.00000
      3       0.4360      2.00000
      4       4.3884      2.00000
      5      15.4990      0.00000
      6      20.5820      0.00000
      7      24.2249      0.00000
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      9      28.5815      0.00000
     10      34.2636      0.00000
     11      35.7713      0.00000
     12      44.1071      0.00000

 k-point   244 :       0.6154    0.2500    0.6346
  band No.  band energies     occupation 
      1      -3.2106      2.00000
      2      -1.9721      2.00000
      3       0.4394      2.00000
      4       4.3688      2.00000
      5      15.5260      0.00000
      6      20.5834      0.00000
      7      24.2090      0.00000
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      9      28.5979      0.00000
     10      34.2184      0.00000
     11      35.8294      0.00000
     12      44.0757      0.00000

 k-point   245 :       0.6122    0.2500    0.6378
  band No.  band energies     occupation 
      1      -3.2060      2.00000
      2      -1.9703      2.00000
      3       0.4442      2.00000
      4       4.3415      2.00000
      5      15.5636      0.00000
      6      20.5853      0.00000
      7      24.1871      0.00000
      8      25.4526      0.00000
      9      28.6207      0.00000
     10      34.1601      0.00000
     11      35.9054      0.00000
     12      44.0322      0.00000

 k-point   246 :       0.6090    0.2500    0.6410
  band No.  band energies     occupation 
      1      -3.2000      2.00000
      2      -1.9680      2.00000
      3       0.4503      2.00000
      4       4.3069      2.00000
      5      15.6116      0.00000
      6      20.5877      0.00000
      7      24.1593      0.00000
      8      25.4183      0.00000
      9      28.6496      0.00000
     10      34.0922      0.00000
     11      35.9961      0.00000
     12      43.9773      0.00000

 k-point   247 :       0.6058    0.2500    0.6442
  band No.  band energies     occupation 
      1      -3.1927      2.00000
      2      -1.9654      2.00000
      3       0.4573      2.00000
      4       4.2644      2.00000
      5      15.6698      0.00000
      6      20.5888      0.00000
      7      24.1370      0.00000
      8      25.3719      0.00000
      9      28.6789      0.00000
     10      34.0181      0.00000
     11      36.0930      0.00000
     12      43.9110      0.00000

 k-point   248 :       0.6026    0.2500    0.6474
  band No.  band energies     occupation 
      1      -3.1841      2.00000
      2      -1.9622      2.00000
      3       0.4661      2.00000
      4       4.2155      2.00000
      5      15.7379      0.00000
      6      20.5921      0.00000
      7      24.0976      0.00000
      8      25.3231      0.00000
      9      28.7195      0.00000
     10      33.9382      0.00000
     11      36.2046      0.00000
     12      43.8370      0.00000

 k-point   249 :       0.5994    0.2500    0.6506
  band No.  band energies     occupation 
      1      -3.1742      2.00000
      2      -1.9586      2.00000
      3       0.4763      2.00000
      4       4.1599      2.00000
      5      15.8156      0.00000
      6      20.5958      0.00000
      7      24.0532      0.00000
      8      25.2674      0.00000
      9      28.7653      0.00000
     10      33.8550      0.00000
     11      36.3237      0.00000
     12      43.7548      0.00000

 k-point   250 :       0.5962    0.2500    0.6538
  band No.  band energies     occupation 
      1      -3.1629      2.00000
      2      -1.9547      2.00000
      3       0.4879      2.00000
      4       4.0981      2.00000
      5      15.9026      0.00000
      6      20.6001      0.00000
      7      24.0042      0.00000
      8      25.2050      0.00000
      9      28.8160      0.00000
     10      33.7697      0.00000
     11      36.4489      0.00000
     12      43.6655      0.00000

 k-point   251 :       0.5929    0.2500    0.6571
  band No.  band energies     occupation 
      1      -3.1503      2.00000
      2      -1.9504      2.00000
      3       0.5008      2.00000
      4       4.0304      2.00000
      5      15.9985      0.00000
      6      20.6047      0.00000
      7      23.9510      0.00000
      8      25.1362      0.00000
      9      28.8713      0.00000
     10      33.6831      0.00000
     11      36.5789      0.00000
     12      43.5698      0.00000

 k-point   252 :       0.5897    0.2500    0.6603
  band No.  band energies     occupation 
      1      -3.1364      2.00000
      2      -1.9458      2.00000
      3       0.5150      2.00000
      4       3.9572      2.00000
      5      16.1029      0.00000
      6      20.6098      0.00000
      7      23.8939      0.00000
      8      25.0613      0.00000
      9      28.9308      0.00000
     10      33.5959      0.00000
     11      36.7129      0.00000
     12      43.4685      0.00000

 k-point   253 :       0.5865    0.2500    0.6635
  band No.  band energies     occupation 
      1      -3.1211      2.00000
      2      -1.9408      2.00000
      3       0.5309      2.00000
      4       3.8801      2.00000
      5      16.2168      0.00000
      6      20.6165      0.00000
      7      23.8378      0.00000
      8      24.9926      0.00000
      9      28.9976      0.00000
     10      33.5200      0.00000
     11      36.8524      0.00000
     12      43.3675      0.00000

 k-point   254 :       0.5833    0.2500    0.6667
  band No.  band energies     occupation 
      1      -3.1045      2.00000
      2      -1.9358      2.00000
      3       0.5478      2.00000
      4       3.7971      2.00000
      5      16.3370      0.00000
      6      20.6221      0.00000
      7      23.7743      0.00000
      8      24.9059      0.00000
      9      29.0643      0.00000
     10      33.4322      0.00000
     11      36.9922      0.00000
     12      43.2581      0.00000

 k-point   255 :       0.5801    0.2500    0.6699
  band No.  band energies     occupation 
      1      -3.0867      2.00000
      2      -1.9307      2.00000
      3       0.5661      2.00000
      4       3.7099      2.00000
      5      16.4646      0.00000
      6      20.6279      0.00000
      7      23.7024      0.00000
      8      24.8139      0.00000
      9      29.1314      0.00000
     10      33.3446      0.00000
     11      37.1340      0.00000
     12      43.1409      0.00000

 k-point   256 :       0.5769    0.2500    0.6731
  band No.  band energies     occupation 
      1      -3.0675      2.00000
      2      -1.9256      2.00000
      3       0.5856      2.00000
      4       3.6189      2.00000
      5      16.5990      0.00000
      6      20.6339      0.00000
      7      23.6338      0.00000
      8      24.7170      0.00000
      9      29.2039      0.00000
     10      33.2572      0.00000
     11      37.2774      0.00000
     12      43.0256      0.00000

 k-point   257 :       0.5737    0.2500    0.6763
  band No.  band energies     occupation 
      1      -3.0470      2.00000
      2      -1.9206      2.00000
      3       0.6055      2.00000
      4       3.5245      2.00000
      5      16.7398      0.00000
      6      20.6357      0.00000
      7      23.5631      0.00000
      8      24.6152      0.00000
      9      29.2787      0.00000
     10      33.1679      0.00000
     11      37.4216      0.00000
     12      42.9034      0.00000

 k-point   258 :       0.5705    0.2500    0.6795
  band No.  band energies     occupation 
      1      -3.0252      2.00000
      2      -1.9157      2.00000
      3       0.6277      2.00000
      4       3.4272      2.00000
      5      16.8868      0.00000
      6      20.6418      0.00000
      7      23.4909      0.00000
      8      24.5095      0.00000
      9      29.3561      0.00000
     10      33.0812      0.00000
     11      37.5668      0.00000
     12      42.7846      0.00000

 k-point   259 :       0.5673    0.2500    0.6827
  band No.  band energies     occupation 
      1      -3.0020      2.00000
      2      -1.9111      2.00000
      3       0.6512      2.00000
      4       3.3275      2.00000
      5      17.0395      0.00000
      6      20.6479      0.00000
      7      23.4175      0.00000
      8      24.3999      0.00000
      9      29.4355      0.00000
     10      32.9949      0.00000
     11      37.7123      0.00000
     12      42.6647      0.00000

 k-point   260 :       0.5641    0.2500    0.6859
  band No.  band energies     occupation 
      1      -2.9775      2.00000
      2      -1.9068      2.00000
      3       0.6760      2.00000
      4       3.2257      2.00000
      5      17.1975      0.00000
      6      20.6538      0.00000
      7      23.3430      0.00000
      8      24.2867      0.00000
      9      29.5167      0.00000
     10      32.9089      0.00000
     11      37.8577      0.00000
     12      42.5439      0.00000

 k-point   261 :       0.5609    0.2500    0.6891
  band No.  band energies     occupation 
      1      -2.9517      2.00000
      2      -1.9031      2.00000
      3       0.7021      2.00000
      4       3.1222      2.00000
      5      17.3603      0.00000
      6      20.6594      0.00000
      7      23.2679      0.00000
      8      24.1702      0.00000
      9      29.5994      0.00000
     10      32.8233      0.00000
     11      38.0028      0.00000
     12      42.4229      0.00000

 k-point   262 :       0.5577    0.2500    0.6923
  band No.  band energies     occupation 
      1      -2.9245      2.00000
      2      -1.8999      2.00000
      3       0.7298      2.00000
      4       3.0176      2.00000
      5      17.5279      0.00000
      6      20.6681      0.00000
      7      23.1986      0.00000
      8      24.0510      0.00000
      9      29.6857      0.00000
     10      32.7396      0.00000
     11      38.1486      0.00000
     12      42.3019      0.00000

 k-point   263 :       0.5545    0.2500    0.6955
  band No.  band energies     occupation 
      1      -2.8961      2.00000
      2      -1.8977      2.00000
      3       0.7584      2.00000
      4       2.9123      2.00000
      5      17.6992      0.00000
      6      20.6729      0.00000
      7      23.1227      0.00000
      8      23.9291      0.00000
      9      29.7711      0.00000
     10      32.6543      0.00000
     11      38.2919      0.00000
     12      42.1810      0.00000

 k-point   264 :       0.5513    0.2500    0.6987
  band No.  band energies     occupation 
      1      -2.8663      2.00000
      2      -1.8964      2.00000
      3       0.7884      2.00000
      4       2.8066      2.00000
      5      17.8741      0.00000
      6      20.6770      0.00000
      7      23.0471      0.00000
      8      23.8051      0.00000
      9      29.8574      0.00000
     10      32.5693      0.00000
     11      38.4338      0.00000
     12      42.0605      0.00000

 k-point   265 :       0.5481    0.2500    0.7019
  band No.  band energies     occupation 
      1      -2.8352      2.00000
      2      -1.8964      2.00000
      3       0.8195      2.00000
      4       2.7010      2.00000
      5      18.0522      0.00000
      6      20.6802      0.00000
      7      22.9722      0.00000
      8      23.6792      0.00000
      9      29.9444      0.00000
     10      32.4844      0.00000
     11      38.5740      0.00000
     12      41.9406      0.00000

 k-point   266 :       0.5449    0.2500    0.7051
  band No.  band energies     occupation 
      1      -2.8028      2.00000
      2      -1.8977      2.00000
      3       0.8519      2.00000
      4       2.5960      2.00000
      5      18.2330      0.00000
      6      20.6823      0.00000
      7      22.8982      0.00000
      8      23.5519      0.00000
      9      30.0321      0.00000
     10      32.3996      0.00000
     11      38.7123      0.00000
     12      41.8218      0.00000

 k-point   267 :       0.5417    0.2500    0.7083
  band No.  band energies     occupation 
      1      -2.7691      2.00000
      2      -1.9006      2.00000
      3       0.8856      2.00000
      4       2.4920      2.00000
      5      18.4161      0.00000
      6      20.6831      0.00000
      7      22.8257      0.00000
      8      23.4236      0.00000
      9      30.1201      0.00000
     10      32.3150      0.00000
     11      38.8485      0.00000
     12      41.7037      0.00000

 k-point   268 :       0.5385    0.2500    0.7115
  band No.  band energies     occupation 
      1      -2.7340      2.00000
      2      -1.9055      2.00000
      3       0.9204      2.00000
      4       2.3895      2.00000
      5      18.6008      0.00000
      6      20.6823      0.00000
      7      22.7549      0.00000
      8      23.2948      0.00000
      9      30.2084      0.00000
     10      32.2305      0.00000
     11      38.9822      0.00000
     12      41.5870      0.00000

 k-point   269 :       0.5353    0.2500    0.7147
  band No.  band energies     occupation 
      1      -2.6977      2.00000
      2      -1.9124      2.00000
      3       0.9565      2.00000
      4       2.2888      2.00000
      5      18.7867      0.00000
      6      20.6797      0.00000
      7      22.6862      0.00000
      8      23.1661      0.00000
      9      30.2968      0.00000
     10      32.1461      0.00000
     11      39.1132      0.00000
     12      41.4716      0.00000

 k-point   270 :       0.5321    0.2500    0.7179
  band No.  band energies     occupation 
      1      -2.6600      2.00000
      2      -1.9217      2.00000
      3       0.9938      2.00000
      4       2.1904      2.00000
      5      18.9729      0.00000
      6      20.6749      0.00000
      7      22.6200      0.00000
      8      23.0380      0.00000
      9      30.3851      0.00000
     10      32.0619      0.00000
     11      39.2414      0.00000
     12      41.3577      0.00000

 k-point   271 :       0.5288    0.2500    0.7212
  band No.  band energies     occupation 
      1      -2.6210      2.00000
      2      -1.9338      2.00000
      3       1.0323      2.00000
      4       2.0949      2.00000
      5      19.1586      0.00000
      6      20.6677      0.00000
      7      22.5568      0.00000
      8      22.9114      0.00000
      9      30.4733      0.00000
     10      31.9777      0.00000
     11      39.3664      0.00000
     12      41.2455      0.00000

 k-point   272 :       0.5256    0.2500    0.7244
  band No.  band energies     occupation 
      1      -2.5807      2.00000
      2      -1.9488      2.00000
      3       1.0719      2.00000
      4       2.0026      2.00000
      5      19.3428      0.00000
      6      20.6577      0.00000
      7      22.4969      0.00000
      8      22.7872      0.00000
      9      30.5611      0.00000
     10      31.8938      0.00000
     11      39.4883      0.00000
     12      41.1351      0.00000

 k-point   273 :       0.5224    0.2500    0.7276
  band No.  band energies     occupation 
      1      -2.5391      2.00000
      2      -1.9671      2.00000
      3       1.1127      2.00000
      4       1.9140      2.00000
      5      19.5240      0.00000
      6      20.6446      0.00000
      7      22.4407      0.00000
      8      22.6667      0.00000
      9      30.6485      0.00000
     10      31.8100      0.00000
     11      39.6068      0.00000
     12      41.0266      0.00000

 k-point   274 :       0.5192    0.2500    0.7308
  band No.  band energies     occupation 
      1      -2.4962      2.00000
      2      -1.9891      2.00000
      3       1.1546      2.00000
      4       1.8295      2.00000
      5      19.7005      0.00000
      6      20.6281      0.00000
      7      22.3886      0.00000
      8      22.5516      0.00000
      9      30.7353      0.00000
     10      31.7265      0.00000
     11      39.7217      0.00000
     12      40.9201      0.00000

 k-point   275 :       0.5160    0.2500    0.7340
  band No.  band energies     occupation 
      1      -2.4520      2.00000
      2      -2.0149      2.00000
      3       1.1977      2.00000
      4       1.7482      2.00000
      5      19.8664      0.00000
      6      20.6080      0.00000
      7      22.3403      0.00000
      8      22.4442      0.00000
      9      30.8199      0.00000
     10      31.6432      0.00000
     11      39.8286      0.00000
     12      40.8155      0.00000

 k-point   276 :       0.5128    0.2500    0.7372
  band No.  band energies     occupation 
      1      -2.4065      2.00000
      2      -2.0449      2.00000
      3       1.2418      2.00000
      4       1.6733      2.00000
      5      20.0251      0.00000
      6      20.5840      0.00000
      7      22.2974      0.00000
      8      22.3478      0.00000
      9      30.9051      0.00000
     10      31.5604      0.00000
     11      39.9362      0.00000
     12      40.7133      0.00000

 k-point   277 :       0.5096    0.2500    0.7404
  band No.  band energies     occupation 
      1      -2.3596      2.00000
      2      -2.0794      2.00000
      3       1.2871      2.00000
      4       1.6036      2.00000
      5      20.1687      0.00000
      6      20.5559      0.00000
      7      22.2594      0.00000
      8      22.2667      0.00000
      9      30.9894      0.00000
     10      31.4780      0.00000
     11      40.0401      0.00000
     12      40.6135      0.00000

 k-point   278 :       0.5064    0.2500    0.7436
  band No.  band energies     occupation 
      1      -2.3115      2.00000
      2      -2.1185      2.00000
      3       1.3334      2.00000
      4       1.5395      2.00000
      5      20.2914      0.00000
      6      20.5238      0.00000
      7      22.2067      0.00000
      8      22.2265      0.00000
      9      31.0725      0.00000
     10      31.3962      0.00000
     11      40.1404      0.00000
     12      40.5167      0.00000

 k-point   279 :       0.5032    0.2500    0.7468
  band No.  band energies     occupation 
      1      -2.2620      2.00000
      2      -2.1624      2.00000
      3       1.3808      2.00000
      4       1.4814      2.00000
      5      20.3864      0.00000
      6      20.4875      0.00000
      7      22.1745      0.00000
      8      22.1988      0.00000
      9      31.1544      0.00000
     10      31.3151      0.00000
     11      40.2371      0.00000
     12      40.4215      0.00000

 k-point   280 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2      -2.2113      2.00000
      3       1.4293      2.00000
      4       1.4293      2.00000
      5      20.4472      0.00000
      6      20.4472      0.00000
      7      22.1762      0.00000
      8      22.1762      0.00000
      9      31.2349      0.00000
     10      31.2349      0.00000
     11      40.3293      0.00000
     12      40.3294      0.00000

 k-point   281 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2113      2.00000
      2      -2.2113      2.00000
      3       1.4293      2.00000
      4       1.4293      2.00000
      5      20.4472      0.00000
      6      20.4472      0.00000
      7      22.1762      0.00000
      8      22.1762      0.00000
      9      31.2349      0.00000
     10      31.2349      0.00000
     11      40.3293      0.00000
     12      40.3294      0.00000

 k-point   282 :       0.5000    0.2564    0.7436
  band No.  band energies     occupation 
      1      -2.3600      2.00000
      2      -2.0703      2.00000
      3       1.2990      2.00000
      4       1.5749      2.00000
      5      20.3170      0.00000
      6      20.5527      0.00000
      7      22.1367      0.00000
      8      22.2475      0.00000
      9      31.0040      0.00000
     10      31.4552      0.00000
     11      40.0687      0.00000
     12      40.5808      0.00000

 k-point   283 :       0.5000    0.2628    0.7372
  band No.  band energies     occupation 
      1      -2.5139      2.00000
      2      -1.9405      2.00000
      3       1.1876      2.00000
      4       1.7328      2.00000
      5      20.1711      0.00000
      6      20.6238      0.00000
      7      22.1380      0.00000
      8      22.3420      0.00000
      9      30.7630      0.00000
     10      31.6649      0.00000
     11      39.8028      0.00000
     12      40.8180      0.00000

 k-point   284 :       0.5000    0.2692    0.7308
  band No.  band energies     occupation 
      1      -2.6706      2.00000
      2      -1.8260      2.00000
      3       1.0992      2.00000
      4       1.9009      2.00000
      5      20.0164      0.00000
      6      20.6546      0.00000
      7      22.1855      0.00000
      8      22.4530      0.00000
      9      30.5125      0.00000
     10      31.8638      0.00000
     11      39.5352      0.00000
     12      41.0355      0.00000

 k-point   285 :       0.5000    0.2756    0.7244
  band No.  band energies     occupation 
      1      -2.8287      2.00000
      2      -1.7312      2.00000
      3       1.0390      2.00000
      4       2.0780      2.00000
      5      19.8597      0.00000
      6      20.6474      0.00000
      7      22.2782      0.00000
      8      22.5766      0.00000
      9      30.2550      0.00000
     10      32.0524      0.00000
     11      39.2723      0.00000
     12      41.2273      0.00000

 k-point   286 :       0.5000    0.2821    0.7179
  band No.  band energies     occupation 
      1      -2.9868      2.00000
      2      -1.6605      2.00000
      3       1.0105      2.00000
      4       2.2608      2.00000
      5      19.7008      0.00000
      6      20.6063      0.00000
      7      22.4060      0.00000
      8      22.7080      0.00000
      9      29.9890      0.00000
     10      32.2302      0.00000
     11      39.0095      0.00000
     12      41.3866      0.00000

 k-point   287 :       0.5000    0.2885    0.7115
  band No.  band energies     occupation 
      1      -3.1439      2.00000
      2      -1.6173      2.00000
      3       1.0174      2.00000
      4       2.4490      2.00000
      5      19.5441      0.00000
      6      20.5416      0.00000
      7      22.5595      0.00000
      8      22.8455      0.00000
      9      29.7179      0.00000
     10      32.3978      0.00000
     11      38.7524      0.00000
     12      41.5071      0.00000

 k-point   288 :       0.5000    0.2949    0.7051
  band No.  band energies     occupation 
      1      -3.2992      2.00000
      2      -1.6027      2.00000
      3       1.0611      2.00000
      4       2.6414      2.00000
      5      19.3913      0.00000
      6      20.4612      0.00000
      7      22.7287      0.00000
      8      22.9875      0.00000
      9      29.4442      0.00000
     10      32.5556      0.00000
     11      38.5026      0.00000
     12      41.5826      0.00000

 k-point   289 :       0.5000    0.3013    0.6987
  band No.  band energies     occupation 
      1      -3.4521      2.00000
      2      -1.6159      2.00000
      3       1.1407      2.00000
      4       2.8371      2.00000
      5      19.2437      0.00000
      6      20.3710      0.00000
      7      22.9050      0.00000
      8      23.1326      0.00000
      9      29.1710      0.00000
     10      32.7039      0.00000
     11      38.2612      0.00000
     12      41.6084      0.00000

 k-point   290 :       0.5000    0.3077    0.6923
  band No.  band energies     occupation 
      1      -3.6023      2.00000
      2      -1.6538      2.00000
      3       1.2524      2.00000
      4       3.0351      2.00000
      5      19.1012      0.00000
      6      20.2748      0.00000
      7      23.0804      0.00000
      8      23.2735      0.00000
      9      28.9017      0.00000
     10      32.8408      0.00000
     11      38.0290      0.00000
     12      41.5749      0.00000

 k-point   291 :       0.5000    0.3141    0.6859
  band No.  band energies     occupation 
      1      -3.7491      2.00000
      2      -1.7117      2.00000
      3       1.3929      2.00000
      4       3.2349      2.00000
      5      18.9665      0.00000
      6      20.1756      0.00000
      7      23.2483      0.00000
      8      23.4215      0.00000
      9      28.6438      0.00000
     10      32.9713      0.00000
     11      37.8069      0.00000
     12      41.4952      0.00000

 k-point   292 :       0.5000    0.3205    0.6795
  band No.  band energies     occupation 
      1      -3.8923      2.00000
      2      -1.7852      2.00000
      3       1.5570      2.00000
      4       3.4356      2.00000
      5      18.8394      0.00000
      6      20.0751      0.00000
      7      23.3999      0.00000
      8      23.5698      0.00000
      9      28.4033      0.00000
     10      33.0935      0.00000
     11      37.5952      0.00000
     12      41.3643      0.00000

 k-point   293 :       0.5000    0.3269    0.6731
  band No.  band energies     occupation 
      1      -4.0316      2.00000
      2      -1.8703      2.00000
      3       1.7405      2.00000
      4       3.6365      2.00000
      5      18.7203      0.00000
      6      19.9746      0.00000
      7      23.5262      0.00000
      8      23.7178      0.00000
      9      28.1891      0.00000
     10      33.2078      0.00000
     11      37.3942      0.00000
     12      41.1867      0.00000

 k-point   294 :       0.5000    0.3333    0.6667
  band No.  band energies     occupation 
      1      -4.1668      2.00000
      2      -1.9633      2.00000
      3       1.9398      2.00000
      4       3.8369      2.00000
      5      18.6096      0.00000
      6      19.8750      0.00000
      7      23.6169      0.00000
      8      23.8647      0.00000
      9      28.0113      0.00000
     10      33.3145      0.00000
     11      37.2040      0.00000
     12      40.9682      0.00000

 k-point   295 :       0.5000    0.3397    0.6603
  band No.  band energies     occupation 
      1      -4.2977      2.00000
      2      -2.0616      2.00000
      3       2.1535      2.00000
      4       4.0367      2.00000
      5      18.5087      0.00000
      6      19.7793      0.00000
      7      23.6698      0.00000
      8      24.0126      0.00000
      9      27.8837      0.00000
     10      33.4233      0.00000
     11      37.0268      0.00000
     12      40.7159      0.00000

 k-point   296 :       0.5000    0.3462    0.6538
  band No.  band energies     occupation 
      1      -4.4243      2.00000
      2      -2.1628      2.00000
      3       2.3758      2.00000
      4       4.2341      2.00000
      5      18.4160      0.00000
      6      19.6833      0.00000
      7      23.6592      0.00000
      8      24.1551      0.00000
      9      27.8084      0.00000
     10      33.5155      0.00000
     11      36.8579      0.00000
     12      40.4360      0.00000

 k-point   297 :       0.5000    0.3526    0.6474
  band No.  band energies     occupation 
      1      -4.5462      2.00000
      2      -2.2652      2.00000
      3       2.6066      2.00000
      4       4.4312      2.00000
      5      18.3341      0.00000
      6      19.5904      0.00000
      7      23.5889      0.00000
      8      24.2944      0.00000
      9      27.7946      0.00000
     10      33.6013      0.00000
     11      36.7039      0.00000
     12      40.1360      0.00000

 k-point   298 :       0.5000    0.3590    0.6410
  band No.  band energies     occupation 
      1      -4.6635      2.00000
      2      -2.3675      2.00000
      3       2.8439      2.00000
      4       4.6230      2.00000
      5      18.2601      0.00000
      6      19.4997      0.00000
      7      23.4600      0.00000
      8      24.4296      0.00000
      9      27.8415      0.00000
     10      33.6805      0.00000
     11      36.5566      0.00000
     12      39.8219      0.00000

 k-point   299 :       0.5000    0.3654    0.6346
  band No.  band energies     occupation 
      1      -4.7760      2.00000
      2      -2.4687      2.00000
      3       3.0864      2.00000
      4       4.8110      2.00000
      5      18.1957      0.00000
      6      19.4120      0.00000
      7      23.2787      0.00000
      8      24.5600      0.00000
      9      27.9436      0.00000
     10      33.7536      0.00000
     11      36.4200      0.00000
     12      39.4997      0.00000

 k-point   300 :       0.5000    0.3718    0.6282
  band No.  band energies     occupation 
      1      -4.8835      2.00000
      2      -2.5679      2.00000
      3       3.3330      2.00000
      4       4.9946      2.00000
      5      18.1424      0.00000
      6      19.3292      0.00000
      7      23.0583      0.00000
      8      24.6869      0.00000
      9      28.0931      0.00000
     10      33.8238      0.00000
     11      36.2995      0.00000
     12      39.1757      0.00000

 k-point   301 :       0.5000    0.3782    0.6218
  band No.  band energies     occupation 
      1      -4.9862      2.00000
      2      -2.6644      2.00000
      3       3.5823      2.00000
      4       5.1731      2.00000
      5      18.0973      0.00000
      6      19.2481      0.00000
      7      22.8002      0.00000
      8      24.8056      0.00000
      9      28.2781      0.00000
     10      33.8851      0.00000
     11      36.1841      0.00000
     12      38.8514      0.00000

 k-point   302 :       0.5000    0.3846    0.6154
  band No.  band energies     occupation 
      1      -5.0840      2.00000
      2      -2.7579      2.00000
      3       3.8308      2.00000
      4       5.3451      2.00000
      5      18.0600      0.00000
      6      19.1702      0.00000
      7      22.5123      0.00000
      8      24.9082      0.00000
      9      28.4884      0.00000
     10      33.9389      0.00000
     11      36.0791      0.00000
     12      38.5304      0.00000

 k-point   303 :       0.5000    0.3910    0.6090
  band No.  band energies     occupation 
      1      -5.1768      2.00000
      2      -2.8485      2.00000
      3       4.0820      2.00000
      4       5.5115      2.00000
      5      18.0317      0.00000
      6      19.0937      0.00000
      7      22.2087      0.00000
      8      25.0078      0.00000
      9      28.7125      0.00000
     10      33.9844      0.00000
     11      35.9800      0.00000
     12      38.2207      0.00000

 k-point   304 :       0.5000    0.3974    0.6026
  band No.  band energies     occupation 
      1      -5.2643      2.00000
      2      -2.9344      2.00000
      3       4.3327      2.00000
      4       5.6711      2.00000
      5      18.0144      0.00000
      6      19.0233      0.00000
      7      21.8999      0.00000
      8      25.1028      0.00000
      9      28.9598      0.00000
     10      34.0282      0.00000
     11      35.8969      0.00000
     12      37.9234      0.00000

 k-point   305 :       0.5000    0.4038    0.5962
  band No.  band energies     occupation 
      1      -5.3467      2.00000
      2      -3.0160      2.00000
      3       4.5819      2.00000
      4       5.8234      2.00000
      5      18.0088      0.00000
      6      18.9565      0.00000
      7      21.5874      0.00000
      8      25.1929      0.00000
      9      29.2170      0.00000
     10      34.0733      0.00000
     11      35.8257      0.00000
     12      37.6414      0.00000

 k-point   306 :       0.5000    0.4103    0.5897
  band No.  band energies     occupation 
      1      -5.4239      2.00000
      2      -3.0931      2.00000
      3       4.8279      2.00000
      4       5.9677      2.00000
      5      18.0082      0.00000
      6      18.8935      0.00000
      7      21.2731      0.00000
      8      25.2693      0.00000
      9      29.4780      0.00000
     10      34.1046      0.00000
     11      35.7648      0.00000
     12      37.3771      0.00000

 k-point   307 :       0.5000    0.4167    0.5833
  band No.  band energies     occupation 
      1      -5.4960      2.00000
      2      -3.1656      2.00000
      3       5.0695      2.00000
      4       6.1036      2.00000
      5      18.0151      0.00000
      6      18.8340      0.00000
      7      20.9622      0.00000
      8      25.3359      0.00000
      9      29.7395      0.00000
     10      34.1296      0.00000
     11      35.7155      0.00000
     12      37.1325      0.00000

 k-point   308 :       0.5000    0.4231    0.5769
  band No.  band energies     occupation 
      1      -5.5628      2.00000
      2      -3.2333      2.00000
      3       5.3053      2.00000
      4       6.2308      2.00000
      5      18.0286      0.00000
      6      18.7782      0.00000
      7      20.6582      0.00000
      8      25.3928      0.00000
      9      29.9980      0.00000
     10      34.1482      0.00000
     11      35.6781      0.00000
     12      36.9094      0.00000

 k-point   309 :       0.5000    0.4295    0.5705
  band No.  band energies     occupation 
      1      -5.6243      2.00000
      2      -3.2959      2.00000
      3       5.5336      2.00000
      4       6.3489      2.00000
      5      18.0477      0.00000
      6      18.7258      0.00000
      7      20.3644      0.00000
      8      25.4400      0.00000
      9      30.2499      0.00000
     10      34.1603      0.00000
     11      35.6526      0.00000
     12      36.7092      0.00000

 k-point   310 :       0.5000    0.4359    0.5641
  band No.  band energies     occupation 
      1      -5.6806      2.00000
      2      -3.3534      2.00000
      3       5.7531      2.00000
      4       6.4579      2.00000
      5      18.0721      0.00000
      6      18.6774      0.00000
      7      20.0851      0.00000
      8      25.4858      0.00000
      9      30.4929      0.00000
     10      34.1805      0.00000
     11      35.6395      0.00000
     12      36.5326      0.00000

 k-point   311 :       0.5000    0.4423    0.5577
  band No.  band energies     occupation 
      1      -5.7315      2.00000
      2      -3.4060      2.00000
      3       5.9606      2.00000
      4       6.5553      2.00000
      5      18.0948      0.00000
      6      18.6204      0.00000
      7      19.8161      0.00000
      8      25.5115      0.00000
      9      30.7155      0.00000
     10      34.1750      0.00000
     11      35.6152      0.00000
     12      36.3720      0.00000

 k-point   312 :       0.5000    0.4487    0.5513
  band No.  band energies     occupation 
      1      -5.7771      2.00000
      2      -3.4531      2.00000
      3       6.1553      2.00000
      4       6.6441      2.00000
      5      18.1240      0.00000
      6      18.5757      0.00000
      7      19.5726      0.00000
      8      25.5327      0.00000
      9      30.9272      0.00000
     10      34.1696      0.00000
     11      35.6241      0.00000
     12      36.2415      0.00000

 k-point   313 :       0.5000    0.4551    0.5449
  band No.  band energies     occupation 
      1      -5.8174      2.00000
      2      -3.4947      2.00000
      3       6.3347      2.00000
      4       6.7228      2.00000
      5      18.1542      0.00000
      6      18.5322      0.00000
      7      19.3529      0.00000
      8      25.5471      0.00000
      9      31.1195      0.00000
     10      34.1600      0.00000
     11      35.6429      0.00000
     12      36.1331      0.00000

 k-point   314 :       0.5000    0.4615    0.5385
  band No.  band energies     occupation 
      1      -5.8523      2.00000
      2      -3.5312      2.00000
      3       6.4976      2.00000
      4       6.7930      2.00000
      5      18.1801      0.00000
      6      18.4892      0.00000
      7      19.1620      0.00000
      8      25.5558      0.00000
      9      31.2845      0.00000
     10      34.1448      0.00000
     11      35.6695      0.00000
     12      36.0381      0.00000

 k-point   315 :       0.5000    0.4679    0.5321
  band No.  band energies     occupation 
      1      -5.8819      2.00000
      2      -3.5619      2.00000
      3       6.6395      2.00000
      4       6.8509      2.00000
      5      18.2079      0.00000
      6      18.4445      0.00000
      7      19.0017      0.00000
      8      25.5600      0.00000
      9      31.4307      0.00000
     10      34.1312      0.00000
     11      35.7019      0.00000
     12      35.9682      0.00000

 k-point   316 :       0.5000    0.4744    0.5256
  band No.  band energies     occupation 
      1      -5.9061      2.00000
      2      -3.5871      2.00000
      3       6.7617      2.00000
      4       6.8987      2.00000
      5      18.2253      0.00000
      6      18.3980      0.00000
      7      18.8768      0.00000
      8      25.5596      0.00000
      9      31.5512      0.00000
     10      34.1183      0.00000
     11      35.7366      0.00000
     12      35.9072      0.00000

 k-point   317 :       0.5000    0.4808    0.5192
  band No.  band energies     occupation 
      1      -5.9250      2.00000
      2      -3.6068      2.00000
      3       6.8572      2.00000
      4       6.9357      2.00000
      5      18.2454      0.00000
      6      18.3517      0.00000
      7      18.7866      0.00000
      8      25.5592      0.00000
      9      31.6458      0.00000
     10      34.1061      0.00000
     11      35.7690      0.00000
     12      35.8673      0.00000

 k-point   318 :       0.5000    0.4872    0.5128
  band No.  band energies     occupation 
      1      -5.9384      2.00000
      2      -3.6208      2.00000
      3       6.9268      2.00000
      4       6.9621      2.00000
      5      18.2605      0.00000
      6      18.3111      0.00000
      7      18.7283      0.00000
      8      25.5581      0.00000
      9      31.7136      0.00000
     10      34.0965      0.00000
     11      35.7957      0.00000
     12      35.8402      0.00000

 k-point   319 :       0.5000    0.4936    0.5064
  band No.  band energies     occupation 
      1      -5.9465      2.00000
      2      -3.6292      2.00000
      3       6.9691      2.00000
      4       6.9780      2.00000
      5      18.2699      0.00000
      6      18.2830      0.00000
      7      18.6963      0.00000
      8      25.5571      0.00000
      9      31.7543      0.00000
     10      34.0904      0.00000
     11      35.8133      0.00000
     12      35.8246      0.00000

 k-point   320 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9492      2.00000
      2      -3.6321      2.00000
      3       6.9833      2.00000
      4       6.9833      2.00000
      5      18.2731      0.00000
      6      18.2731      0.00000
      7      18.6862      0.00000
      8      25.5566      0.00000
      9      31.7679      0.00000
     10      34.0883      0.00000
     11      35.8194      0.00000
     12      35.8194      0.00000

 k-point   321 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9492      2.00000
      2      -3.6321      2.00000
      3       6.9833      2.00000
      4       6.9833      2.00000
      5      18.2731      0.00000
      6      18.2731      0.00000
      7      18.6862      0.00000
      8      25.5566      0.00000
      9      31.7679      0.00000
     10      34.0884      0.00000
     11      35.8194      0.00000
     12      35.8196      0.00000

 k-point   322 :       0.4968    0.4968    0.5064
  band No.  band energies     occupation 
      1      -5.9472      2.00000
      2      -3.6299      2.00000
      3       6.9726      2.00000
      4       6.9793      2.00000
      5      18.2706      0.00000
      6      18.2807      0.00000
      7      18.6937      0.00000
      8      25.5570      0.00000
      9      31.7577      0.00000
     10      34.0899      0.00000
     11      35.8148      0.00000
     12      35.8233      0.00000

 k-point   323 :       0.4936    0.4936    0.5128
  band No.  band energies     occupation 
      1      -5.9411      2.00000
      2      -3.6236      2.00000
      3       6.9408      2.00000
      4       6.9675      2.00000
      5      18.2623      0.00000
      6      18.3034      0.00000
      7      18.7173      0.00000
      8      25.5578      0.00000
      9      31.7271      0.00000
     10      34.0945      0.00000
     11      35.8009      0.00000
     12      35.8354      0.00000

 k-point   324 :       0.4904    0.4904    0.5192
  band No.  band energies     occupation 
      1      -5.9310      2.00000
      2      -3.6131      2.00000
      3       6.8881      2.00000
      4       6.9478      2.00000
      5      18.2464      0.00000
      6      18.3412      0.00000
      7      18.7585      0.00000
      8      25.5588      0.00000
      9      31.6763      0.00000
     10      34.1019      0.00000
     11      35.7782      0.00000
     12      35.8574      0.00000

 k-point   325 :       0.4872    0.4872    0.5256
  band No.  band energies     occupation 
      1      -5.9169      2.00000
      2      -3.5983      2.00000
      3       6.8152      2.00000
      4       6.9206      2.00000
      5      18.2209      0.00000
      6      18.3937      0.00000
      7      18.8191      0.00000
      8      25.5596      0.00000
      9      31.6054      0.00000
     10      34.1117      0.00000
     11      35.7470      0.00000
     12      35.8913      0.00000

 k-point   326 :       0.4840    0.4840    0.5321
  band No.  band energies     occupation 
      1      -5.8987      2.00000
      2      -3.5794      2.00000
      3       6.7228      2.00000
      4       6.8862      2.00000
      5      18.1852      0.00000
      6      18.4607      0.00000
      7      18.8995      0.00000
      8      25.5593      0.00000
      9      31.5147      0.00000
     10      34.1234      0.00000
     11      35.7079      0.00000
     12      35.9399      0.00000

 k-point   327 :       0.4808    0.4808    0.5385
  band No.  band energies     occupation 
      1      -5.8766      2.00000
      2      -3.5563      2.00000
      3       6.6090      2.00000
      4       6.8444      2.00000
      5      18.1387      0.00000
      6      18.5415      0.00000
      7      18.9983      0.00000
      8      25.5572      0.00000
      9      31.4046      0.00000
     10      34.1352      0.00000
     11      35.6617      0.00000
     12      36.0034      0.00000

 k-point   328 :       0.4776    0.4776    0.5449
  band No.  band energies     occupation 
      1      -5.8503      2.00000
      2      -3.5291      2.00000
      3       6.4817      2.00000
      4       6.7968      2.00000
      5      18.0933      0.00000
      6      18.6402      0.00000
      7      19.1169      0.00000
      8      25.5564      0.00000
      9      31.2784      0.00000
     10      34.1504      0.00000
     11      35.6135      0.00000
     12      36.1007      0.00000

 k-point   329 :       0.4744    0.4744    0.5513
  band No.  band energies     occupation 
      1      -5.8201      2.00000
      2      -3.4975      2.00000
      3       6.3376      2.00000
      4       6.7427      2.00000
      5      18.0320      0.00000
      6      18.7483      0.00000
      7      19.2515      0.00000
      8      25.5484      0.00000
      9      31.1394      0.00000
     10      34.1705      0.00000
     11      35.5560      0.00000
     12      36.2158      0.00000

 k-point   330 :       0.4712    0.4712    0.5577
  band No.  band energies     occupation 
      1      -5.7859      2.00000
      2      -3.4621      2.00000
      3       6.1765      2.00000
      4       6.6812      2.00000
      5      17.9599      0.00000
      6      18.8673      0.00000
      7      19.4010      0.00000
      8      25.5354      0.00000
      9      30.9804      0.00000
     10      34.1862      0.00000
     11      35.4911      0.00000
     12      36.3412      0.00000

 k-point   331 :       0.4679    0.4679    0.5641
  band No.  band energies     occupation 
      1      -5.7476      2.00000
      2      -3.4224      2.00000
      3       6.0035      2.00000
      4       6.6164      2.00000
      5      17.8840      0.00000
      6      18.9996      0.00000
      7      19.5661      0.00000
      8      25.5164      0.00000
      9      30.8158      0.00000
     10      34.2069      0.00000
     11      35.4283      0.00000
     12      36.4916      0.00000

 k-point   332 :       0.4647    0.4647    0.5705
  band No.  band energies     occupation 
      1      -5.7054      2.00000
      2      -3.3789      2.00000
      3       5.8175      2.00000
      4       6.5469      2.00000
      5      17.7995      0.00000
      6      19.1418      0.00000
      7      19.7421      0.00000
      8      25.4859      0.00000
      9      30.6347      0.00000
     10      34.2174      0.00000
     11      35.3591      0.00000
     12      36.6619      0.00000

 k-point   333 :       0.4615    0.4615    0.5769
  band No.  band energies     occupation 
      1      -5.6591      2.00000
      2      -3.3316      2.00000
      3       5.6208      2.00000
      4       6.4732      2.00000
      5      17.7112      0.00000
      6      19.2942      0.00000
      7      19.9300      0.00000
      8      25.4513      0.00000
      9      30.4469      0.00000
     10      34.2365      0.00000
     11      35.2882      0.00000
     12      36.8542      0.00000

 k-point   334 :       0.4583    0.4583    0.5833
  band No.  band energies     occupation 
      1      -5.6089      2.00000
      2      -3.2803      2.00000
      3       5.4140      2.00000
      4       6.3960      2.00000
      5      17.6191      0.00000
      6      19.4560      0.00000
      7      20.1283      0.00000
      8      25.4072      0.00000
      9      30.2547      0.00000
     10      34.2563      0.00000
     11      35.2166      0.00000
     12      37.0678      0.00000

 k-point   335 :       0.4551    0.4551    0.5897
  band No.  band energies     occupation 
      1      -5.5548      2.00000
      2      -3.2252      2.00000
      3       5.1984      2.00000
      4       6.3157      2.00000
      5      17.5241      0.00000
      6      19.6267      0.00000
      7      20.3357      0.00000
      8      25.3524      0.00000
      9      30.0606      0.00000
     10      34.2767      0.00000
     11      35.1453      0.00000
     12      37.3017      0.00000

 k-point   336 :       0.4519    0.4519    0.5962
  band No.  band energies     occupation 
      1      -5.4967      2.00000
      2      -3.1664      2.00000
      3       4.9749      2.00000
      4       6.2329      2.00000
      5      17.4269      0.00000
      6      19.8052      0.00000
      7      20.5512      0.00000
      8      25.2860      0.00000
      9      29.8672      0.00000
     10      34.2978      0.00000
     11      35.0750      0.00000
     12      37.5548      0.00000

 k-point   337 :       0.4487    0.4487    0.6026
  band No.  band energies     occupation 
      1      -5.4346      2.00000
      2      -3.1040      2.00000
      3       4.7446      2.00000
      4       6.1480      2.00000
      5      17.3282      0.00000
      6      19.9909      0.00000
      7      20.7739      0.00000
      8      25.2070      0.00000
      9      29.6768      0.00000
     10      34.3193      0.00000
     11      35.0067      0.00000
     12      37.8259      0.00000

 k-point   338 :       0.4455    0.4455    0.6090
  band No.  band energies     occupation 
      1      -5.3687      2.00000
      2      -3.0381      2.00000
      3       4.5086      2.00000
      4       6.0614      2.00000
      5      17.2284      0.00000
      6      20.1830      0.00000
      7      21.0029      0.00000
      8      25.1148      0.00000
      9      29.4916      0.00000
     10      34.3410      0.00000
     11      34.9412      0.00000
     12      38.1139      0.00000

 k-point   339 :       0.4423    0.4423    0.6154
  band No.  band energies     occupation 
      1      -5.2989      2.00000
      2      -2.9686      2.00000
      3       4.2677      2.00000
      4       5.9736      2.00000
      5      17.1265      0.00000
      6      20.3800      0.00000
      7      21.2354      0.00000
      8      25.0064      0.00000
      9      29.3176      0.00000
     10      34.3539      0.00000
     11      34.8784      0.00000
     12      38.4181      0.00000

 k-point   340 :       0.4391    0.4391    0.6218
  band No.  band energies     occupation 
      1      -5.2252      2.00000
      2      -2.8961      2.00000
      3       4.0243      2.00000
      4       5.8851      2.00000
      5      17.0271      0.00000
      6      20.5822      0.00000
      7      21.4768      0.00000
      8      24.8904      0.00000
      9      29.1498      0.00000
     10      34.3750      0.00000
     11      34.8209      0.00000
     12      38.7370      0.00000

 k-point   341 :       0.4359    0.4359    0.6282
  band No.  band energies     occupation 
      1      -5.1478      2.00000
      2      -2.8206      2.00000
      3       3.7762      2.00000
      4       5.7962      2.00000
      5      16.9275      0.00000
      6      20.7882      0.00000
      7      21.7190      0.00000
      8      24.7557      0.00000
      9      28.9901      0.00000
     10      34.3950      0.00000
     11      34.7686      0.00000
     12      39.0672      0.00000

 k-point   342 :       0.4327    0.4327    0.6346
  band No.  band energies     occupation 
      1      -5.0665      2.00000
      2      -2.7423      2.00000
      3       3.5259      2.00000
      4       5.7073      2.00000
      5      16.8287      0.00000
      6      20.9972      0.00000
      7      21.9636      0.00000
      8      24.6074      0.00000
      9      28.8413      0.00000
     10      34.4142      0.00000
     11      34.7223      0.00000
     12      39.4082      0.00000

 k-point   343 :       0.4295    0.4295    0.6410
  band No.  band energies     occupation 
      1      -4.9815      2.00000
      2      -2.6616      2.00000
      3       3.2742      2.00000
      4       5.6188      2.00000
      5      16.7313      0.00000
      6      21.2083      0.00000
      7      22.2094      0.00000
      8      24.4465      0.00000
      9      28.7040      0.00000
     10      34.4324      0.00000
     11      34.6827      0.00000
     12      39.7582      0.00000

 k-point   344 :       0.4263    0.4263    0.6474
  band No.  band energies     occupation 
      1      -4.8929      2.00000
      2      -2.5787      2.00000
      3       3.0221      2.00000
      4       5.5276      2.00000
      5      16.6351      0.00000
      6      21.4154      0.00000
      7      22.4509      0.00000
      8      24.2701      0.00000
      9      28.5727      0.00000
     10      34.4379      0.00000
     11      34.6500      0.00000
     12      40.1151      0.00000

 k-point   345 :       0.4231    0.4231    0.6538
  band No.  band energies     occupation 
      1      -4.8006      2.00000
      2      -2.4941      2.00000
      3       2.7704      2.00000
      4       5.4407      2.00000
      5      16.5412      0.00000
      6      21.6277      0.00000
      7      22.6931      0.00000
      8      24.0899      0.00000
      9      28.4592      0.00000
     10      34.4532      0.00000
     11      34.6263      0.00000
     12      40.4771      0.00000

 k-point   346 :       0.4199    0.4199    0.6603
  band No.  band energies     occupation 
      1      -4.7049      2.00000
      2      -2.4083      2.00000
      3       2.5200      2.00000
      4       5.3551      2.00000
      5      16.4487      0.00000
      6      21.8331      0.00000
      7      22.9264      0.00000
      8      23.9053      0.00000
      9      28.3577      0.00000
     10      34.4631      0.00000
     11      34.6092      0.00000
     12      40.8413      0.00000

 k-point   347 :       0.4167    0.4167    0.6667
  band No.  band energies     occupation 
      1      -4.6056      2.00000
      2      -2.3220      2.00000
      3       2.2725      2.00000
      4       5.2710      2.00000
      5      16.3593      0.00000
      6      22.0428      0.00000
      7      23.1305      0.00000
      8      23.7412      0.00000
      9      28.2687      0.00000
     10      34.4741      0.00000
     11      34.6044      0.00000
     12      41.2050      0.00000

 k-point   348 :       0.4135    0.4135    0.6731
  band No.  band energies     occupation 
      1      -4.5030      2.00000
      2      -2.2360      2.00000
      3       2.0289      2.00000
      4       5.1886      2.00000
      5      16.2725      0.00000
      6      22.2500      0.00000
      7      23.2210      0.00000
      8      23.6800      0.00000
      9      28.1921      0.00000
     10      34.4828      0.00000
     11      34.6100      0.00000
     12      41.5651      0.00000

 k-point   349 :       0.4103    0.4103    0.6795
  band No.  band energies     occupation 
      1      -4.3972      2.00000
      2      -2.1515      2.00000
      3       1.7907      2.00000
      4       5.1082      2.00000
      5      16.1885      0.00000
      6      22.4538      0.00000
      7      23.1118      0.00000
      8      23.8075      0.00000
      9      28.1280      0.00000
     10      34.4888      0.00000
     11      34.6269      0.00000
     12      41.9179      0.00000

 k-point   350 :       0.4071    0.4071    0.6859
  band No.  band energies     occupation 
      1      -4.2884      2.00000
      2      -2.0700      2.00000
      3       1.5600      2.00000
      4       5.0300      2.00000
      5      16.1075      0.00000
      6      22.6532      0.00000
      7      22.9166      0.00000
      8      24.0099      0.00000
      9      28.0770      0.00000
     10      34.4919      0.00000
     11      34.6557      0.00000
     12      42.2600      0.00000

 k-point   351 :       0.4038    0.4038    0.6923
  band No.  band energies     occupation 
      1      -4.1767      2.00000
      2      -1.9927      2.00000
      3       1.3383      2.00000
      4       4.9548      2.00000
      5      16.0295      0.00000
      6      22.7022      0.00000
      7      22.8534      0.00000
      8      24.2190      0.00000
      9      28.0443      0.00000
     10      34.4968      0.00000
     11      34.7042      0.00000
     12      42.5883      0.00000

 k-point   352 :       0.4006    0.4006    0.6987
  band No.  band energies     occupation 
      1      -4.0628      2.00000
      2      -1.9235      2.00000
      3       1.1303      2.00000
      4       4.8815      2.00000
      5      15.9547      0.00000
      6      22.4719      0.00000
      7      23.0414      0.00000
      8      24.4311      0.00000
      9      28.0217      0.00000
     10      34.4932      0.00000
     11      34.7584      0.00000
     12      42.8933      0.00000

 k-point   353 :       0.3974    0.3974    0.7051
  band No.  band energies     occupation 
      1      -3.9469      2.00000
      2      -1.8650      2.00000
      3       0.9389      2.00000
      4       4.8109      2.00000
      5      15.8832      0.00000
      6      22.2364      0.00000
      7      23.2224      0.00000
      8      24.6338      0.00000
      9      28.0158      0.00000
     10      34.4859      0.00000
     11      34.8264      0.00000
     12      43.1724      0.00000

 k-point   354 :       0.3942    0.3942    0.7115
  band No.  band energies     occupation 
      1      -3.8297      2.00000
      2      -1.8210      2.00000
      3       0.7689      2.00000
      4       4.7431      2.00000
      5      15.8151      0.00000
      6      21.9981      0.00000
      7      23.3956      0.00000
      8      24.8231      0.00000
      9      28.0282      0.00000
     10      34.4748      0.00000
     11      34.9086      0.00000
     12      43.4202      0.00000

 k-point   355 :       0.3910    0.3910    0.7179
  band No.  band energies     occupation 
      1      -3.7122      2.00000
      2      -1.7957      2.00000
      3       0.6256      2.00000
      4       4.6783      2.00000
      5      15.7504      0.00000
      6      21.7587      0.00000
      7      23.5601      0.00000
      8      24.9954      0.00000
      9      28.0610      0.00000
     10      34.4596      0.00000
     11      35.0055      0.00000
     12      43.6339      0.00000

 k-point   356 :       0.3878    0.3878    0.7244
  band No.  band energies     occupation 
      1      -3.5958      2.00000
      2      -1.7931      2.00000
      3       0.5144      2.00000
      4       4.6179      2.00000
      5      15.6878      0.00000
      6      21.5194      0.00000
      7      23.7205      0.00000
      8      25.1367      0.00000
      9      28.1190      0.00000
     10      34.4251      0.00000
     11      35.1217      0.00000
     12      43.8088      0.00000

 k-point   357 :       0.3846    0.3846    0.7308
  band No.  band energies     occupation 
      1      -3.4830      2.00000
      2      -1.8146      2.00000
      3       0.4392      2.00000
      4       4.5593      2.00000
      5      15.6300      0.00000
      6      21.2806      0.00000
      7      23.8655      0.00000
      8      25.2662      0.00000
      9      28.1967      0.00000
     10      34.4007      0.00000
     11      35.2490      0.00000
     12      43.9448      0.00000

 k-point   358 :       0.3814    0.3814    0.7372
  band No.  band energies     occupation 
      1      -3.3773      2.00000
      2      -1.8581      2.00000
      3       0.4028      2.00000
      4       4.5041      2.00000
      5      15.5759      0.00000
      6      21.0475      0.00000
      7      24.0014      0.00000
      8      25.3723      0.00000
      9      28.2982      0.00000
     10      34.3745      0.00000
     11      35.3916      0.00000
     12      44.0467      0.00000

 k-point   359 :       0.3782    0.3782    0.7436
  band No.  band energies     occupation 
      1      -3.2853      2.00000
      2      -1.9159      2.00000
      3       0.4018      2.00000
      4       4.4524      2.00000
      5      15.5249      0.00000
      6      20.8126      0.00000
      7      24.1251      0.00000
      8      25.4546      0.00000
      9      28.4227      0.00000
     10      34.3409      0.00000
     11      35.5493      0.00000
     12      44.1057      0.00000

 k-point   360 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1336      0.00000

 k-point   361 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2166      2.00000
      2      -1.9744      2.00000
      3       0.4333      2.00000
      4       4.4041      2.00000
      5      15.4773      0.00000
      6      20.5809      0.00000
      7      24.2376      0.00000
      8      25.5141      0.00000
      9      28.5683      0.00000
     10      34.3025      0.00000
     11      35.7220      0.00000
     12      44.1330      0.00000

 k-point   362 :       0.6218    0.2436    0.6218
  band No.  band energies     occupation 
      1      -3.1665      2.00000
      2      -2.0266      2.00000
      3       0.4826      2.00000
      4       4.3582      2.00000
      5      15.4319      0.00000
      6      20.3512      0.00000
      7      24.3440      0.00000
      8      25.5627      0.00000
      9      28.7242      0.00000
     10      34.2614      0.00000
     11      35.9031      0.00000
     12      44.1427      0.00000

 k-point   363 :       0.6186    0.2372    0.6186
  band No.  band energies     occupation 
      1      -3.1217      2.00000
      2      -2.0773      2.00000
      3       0.5385      2.00000
      4       4.3133      2.00000
      5      15.3875      0.00000
      6      20.1222      0.00000
      7      24.4491      0.00000
      8      25.6110      0.00000
      9      28.8810      0.00000
     10      34.2199      0.00000
     11      36.0860      0.00000
     12      44.1475      0.00000

 k-point   364 :       0.6154    0.2308    0.6154
  band No.  band energies     occupation 
      1      -3.0820      2.00000
      2      -2.1268      2.00000
      3       0.6009      2.00000
      4       4.2694      2.00000
      5      15.3441      0.00000
      6      19.8940      0.00000
      7      24.5529      0.00000
      8      25.6589      0.00000
      9      29.0385      0.00000
     10      34.1780      0.00000
     11      36.2708      0.00000
     12      44.1474      0.00000

 k-point   365 :       0.6122    0.2244    0.6122
  band No.  band energies     occupation 
      1      -3.0472      2.00000
      2      -2.1749      2.00000
      3       0.6694      2.00000
      4       4.2266      2.00000
      5      15.3019      0.00000
      6      19.6670      0.00000
      7      24.6554      0.00000
      8      25.7065      0.00000
      9      29.1965      0.00000
     10      34.1359      0.00000
     11      36.4573      0.00000
     12      44.1445      0.00000

 k-point   366 :       0.6090    0.2179    0.6090
  band No.  band energies     occupation 
      1      -3.0172      2.00000
      2      -2.2217      2.00000
      3       0.7436      2.00000
      4       4.1849      2.00000
      5      15.2607      0.00000
      6      19.4413      0.00000
      7      24.7564      0.00000
      8      25.7535      0.00000
      9      29.3548      0.00000
     10      34.0936      0.00000
     11      36.6456      0.00000
     12      44.1315      0.00000

 k-point   367 :       0.6058    0.2115    0.6058
  band No.  band energies     occupation 
      1      -2.9916      2.00000
      2      -2.2672      2.00000
      3       0.8232      2.00000
      4       4.1442      2.00000
      5      15.2206      0.00000
      6      19.2173      0.00000
      7      24.8559      0.00000
      8      25.8001      0.00000
      9      29.5133      0.00000
     10      34.0513      0.00000
     11      36.8355      0.00000
     12      44.1151      0.00000

 k-point   368 :       0.6026    0.2051    0.6026
  band No.  band energies     occupation 
      1      -2.9702      2.00000
      2      -2.3113      2.00000
      3       0.9078      2.00000
      4       4.1046      2.00000
      5      15.1816      0.00000
      6      18.9952      0.00000
      7      24.9538      0.00000
      8      25.8462      0.00000
      9      29.6717      0.00000
     10      34.0089      0.00000
     11      37.0270      0.00000
     12      44.0929      0.00000

 k-point   369 :       0.5994    0.1987    0.5994
  band No.  band energies     occupation 
      1      -2.9526      2.00000
      2      -2.3540      2.00000
      3       0.9970      2.00000
      4       4.0661      2.00000
      5      15.1437      0.00000
      6      18.7751      0.00000
      7      25.0499      0.00000
      8      25.8916      0.00000
      9      29.8299      0.00000
     10      33.9667      0.00000
     11      37.2199      0.00000
     12      44.0652      0.00000

 k-point   370 :       0.5962    0.1923    0.5962
  band No.  band energies     occupation 
      1      -2.9384      2.00000
      2      -2.3955      2.00000
      3       1.0902      2.00000
      4       4.0287      2.00000
      5      15.1069      0.00000
      6      18.5574      0.00000
      7      25.1443      0.00000
      8      25.9365      0.00000
      9      29.9878      0.00000
     10      33.9246      0.00000
     11      37.4142      0.00000
     12      44.0315      0.00000

 k-point   371 :       0.5929    0.1859    0.5929
  band No.  band energies     occupation 
      1      -2.9274      2.00000
      2      -2.4356      2.00000
      3       1.1869      2.00000
      4       3.9924      2.00000
      5      15.0713      0.00000
      6      18.3423      0.00000
      7      25.2367      0.00000
      8      25.9806      0.00000
      9      30.1450      0.00000
     10      33.8828      0.00000
     11      37.6098      0.00000
     12      43.9923      0.00000

 k-point   372 :       0.5897    0.1795    0.5897
  band No.  band energies     occupation 
      1      -2.9193      2.00000
      2      -2.4743      2.00000
      3       1.2868      2.00000
      4       3.9573      2.00000
      5      15.0368      0.00000
      6      18.1300      0.00000
      7      25.3272      0.00000
      8      26.0240      0.00000
      9      30.3016      0.00000
     10      33.8414      0.00000
     11      37.8066      0.00000
     12      43.9477      0.00000

 k-point   373 :       0.5865    0.1731    0.5865
  band No.  band energies     occupation 
      1      -2.9136      2.00000
      2      -2.5117      2.00000
      3       1.3892      2.00000
      4       3.9233      2.00000
      5      15.0035      0.00000
      6      17.9207      0.00000
      7      25.4155      0.00000
      8      26.0666      0.00000
      9      30.4571      0.00000
     10      33.8005      0.00000
     11      38.0045      0.00000
     12      43.8978      0.00000

 k-point   374 :       0.5833    0.1667    0.5833
  band No.  band energies     occupation 
      1      -2.9102      2.00000
      2      -2.5477      2.00000
      3       1.4938      2.00000
      4       3.8905      2.00000
      5      14.9713      0.00000
      6      17.7147      0.00000
      7      25.5017      0.00000
      8      26.1084      0.00000
      9      30.6115      0.00000
     10      33.7601      0.00000
     11      38.2033      0.00000
     12      43.8435      0.00000

 k-point   375 :       0.5801    0.1603    0.5801
  band No.  band energies     occupation 
      1      -2.9086      2.00000
      2      -2.5824      2.00000
      3       1.6001      2.00000
      4       3.8588      2.00000
      5      14.9403      0.00000
      6      17.5123      0.00000
      7      25.5856      0.00000
      8      26.1493      0.00000
      9      30.7644      0.00000
     10      33.7203      0.00000
     11      38.4028      0.00000
     12      43.7832      0.00000

 k-point   376 :       0.5769    0.1538    0.5769
  band No.  band energies     occupation 
      1      -2.9087      2.00000
      2      -2.6158      2.00000
      3       1.7075      2.00000
      4       3.8283      2.00000
      5      14.9104      0.00000
      6      17.3137      0.00000
      7      25.6672      0.00000
      8      26.1893      0.00000
      9      30.9158      0.00000
     10      33.6812      0.00000
     11      38.6030      0.00000
     12      43.7198      0.00000

 k-point   377 :       0.5737    0.1474    0.5737
  band No.  band energies     occupation 
      1      -2.9103      2.00000
      2      -2.6477      2.00000
      3       1.8156      2.00000
      4       3.7990      2.00000
      5      14.8818      0.00000
      6      17.1192      0.00000
      7      25.7463      0.00000
      8      26.2282      0.00000
      9      31.0652      0.00000
     10      33.6429      0.00000
     11      38.8036      0.00000
     12      43.6515      0.00000

 k-point   378 :       0.5705    0.1410    0.5705
  band No.  band energies     occupation 
      1      -2.9130      2.00000
      2      -2.6784      2.00000
      3       1.9240      2.00000
      4       3.7709      2.00000
      5      14.8543      0.00000
      6      16.9291      0.00000
      7      25.8229      0.00000
      8      26.2661      0.00000
      9      31.2125      0.00000
     10      33.6055      0.00000
     11      39.0044      0.00000
     12      43.5843      0.00000

 k-point   379 :       0.5673    0.1346    0.5673
  band No.  band energies     occupation 
      1      -2.9167      2.00000
      2      -2.7077      2.00000
      3       2.0321      2.00000
      4       3.7439      2.00000
      5      14.8280      0.00000
      6      16.7436      0.00000
      7      25.8968      0.00000
      8      26.3029      0.00000
      9      31.3574      0.00000
     10      33.5691      0.00000
     11      39.2052      0.00000
     12      43.5083      0.00000

 k-point   380 :       0.5641    0.1282    0.5641
  band No.  band energies     occupation 
      1      -2.9212      2.00000
      2      -2.7356      2.00000
      3       2.1396      2.00000
      4       3.7182      2.00000
      5      14.8029      0.00000
      6      16.5631      0.00000
      7      25.9680      0.00000
      8      26.3385      0.00000
      9      31.4995      0.00000
     10      33.5337      0.00000
     11      39.4057      0.00000
     12      43.4268      0.00000

 k-point   381 :       0.5609    0.1218    0.5609
  band No.  band energies     occupation 
      1      -2.9264      2.00000
      2      -2.7622      2.00000
      3       2.2460      2.00000
      4       3.6937      2.00000
      5      14.7790      0.00000
      6      16.3880      0.00000
      7      26.0364      0.00000
      8      26.3729      0.00000
      9      31.6387      0.00000
     10      33.4995      0.00000
     11      39.6056      0.00000
     12      43.3495      0.00000

 k-point   382 :       0.5577    0.1154    0.5577
  band No.  band energies     occupation 
      1      -2.9320      2.00000
      2      -2.7874      2.00000
      3       2.3508      2.00000
      4       3.6704      2.00000
      5      14.7563      0.00000
      6      16.2185      0.00000
      7      26.1019      0.00000
      8      26.4060      0.00000
      9      31.7744      0.00000
     10      33.4664      0.00000
     11      39.8046      0.00000
     12      43.2691      0.00000

 k-point   383 :       0.5545    0.1090    0.5545
  band No.  band energies     occupation 
      1      -2.9379      2.00000
      2      -2.8112      2.00000
      3       2.4536      2.00000
      4       3.6483      2.00000
      5      14.7348      0.00000
      6      16.0550      0.00000
      7      26.1645      0.00000
      8      26.4377      0.00000
      9      31.9064      0.00000
     10      33.4347      0.00000
     11      40.0022      0.00000
     12      43.1861      0.00000

 k-point   384 :       0.5513    0.1026    0.5513
  band No.  band energies     occupation 
      1      -2.9441      2.00000
      2      -2.8337      2.00000
      3       2.5539      2.00000
      4       3.6275      2.00000
      5      14.7145      0.00000
      6      15.8978      0.00000
      7      26.2239      0.00000
      8      26.4680      0.00000
      9      32.0343      0.00000
     10      33.4043      0.00000
     11      40.1981      0.00000
     12      43.1064      0.00000

 k-point   385 :       0.5481    0.0962    0.5481
  band No.  band energies     occupation 
      1      -2.9503      2.00000
      2      -2.8548      2.00000
      3       2.6512      2.00000
      4       3.6079      2.00000
      5      14.6955      0.00000
      6      15.7474      0.00000
      7      26.2802      0.00000
      8      26.4969      0.00000
      9      32.1577      0.00000
     10      33.3754      0.00000
     11      40.3913      0.00000
     12      43.0203      0.00000

 k-point   386 :       0.5449    0.0897    0.5449
  band No.  band energies     occupation 
      1      -2.9568      2.00000
      2      -2.8748      2.00000
      3       2.7449      2.00000
      4       3.5895      2.00000
      5      14.6766      0.00000
      6      15.6035      0.00000
      7      26.3333      0.00000
      8      26.5190      0.00000
      9      32.2662      0.00000
     10      33.3420      0.00000
     11      40.5817      0.00000
     12      42.9393      0.00000

 k-point   387 :       0.5417    0.0833    0.5417
  band No.  band energies     occupation 
      1      -2.9630      2.00000
      2      -2.8932      2.00000
      3       2.8350      2.00000
      4       3.5724      2.00000
      5      14.6600      0.00000
      6      15.4677      0.00000
      7      26.3831      0.00000
      8      26.5448      0.00000
      9      32.3790      0.00000
     10      33.3159      0.00000
     11      40.7683      0.00000
     12      42.8598      0.00000

 k-point   388 :       0.5385    0.0769    0.5385
  band No.  band energies     occupation 
      1      -2.9690      2.00000
      2      -2.9103      2.00000
      3       2.9208      2.00000
      4       3.5565      2.00000
      5      14.6445      0.00000
      6      15.3398      0.00000
      7      26.4295      0.00000
      8      26.5690      0.00000
      9      32.4860      0.00000
     10      33.2915      0.00000
     11      40.9504      0.00000
     12      42.7834      0.00000

 k-point   389 :       0.5353    0.0705    0.5353
  band No.  band energies     occupation 
      1      -2.9747      2.00000
      2      -2.9260      2.00000
      3       3.0018      2.00000
      4       3.5419      2.00000
      5      14.6304      0.00000
      6      15.2201      0.00000
      7      26.4725      0.00000
      8      26.5915      0.00000
      9      32.5867      0.00000
     10      33.2688      0.00000
     11      41.1269      0.00000
     12      42.7097      0.00000

 k-point   390 :       0.5321    0.0641    0.5321
  band No.  band energies     occupation 
      1      -2.9801      2.00000
      2      -2.9403      2.00000
      3       3.0778      2.00000
      4       3.5285      2.00000
      5      14.6174      0.00000
      6      15.1095      0.00000
      7      26.5362      0.00000
      8      26.6124      0.00000
      9      32.6807      0.00000
     10      33.2479      0.00000
     11      41.2967      0.00000
     12      42.6431      0.00000

 k-point   391 :       0.5288    0.0577    0.5288
  band No.  band energies     occupation 
      1      -2.9851      2.00000
      2      -2.9533      2.00000
      3       3.1480      2.00000
      4       3.5164      2.00000
      5      14.6057      0.00000
      6      15.0077      0.00000
      7      26.5721      0.00000
      8      26.6314      0.00000
      9      32.7675      0.00000
     10      33.2288      0.00000
     11      41.4585      0.00000
     12      42.5773      0.00000

 k-point   392 :       0.5256    0.0513    0.5256
  band No.  band energies     occupation 
      1      -2.9898      2.00000
      2      -2.9648      2.00000
      3       3.2121      2.00000
      4       3.5056      2.00000
      5      14.5952      0.00000
      6      14.9153      0.00000
      7      26.6043      0.00000
      8      26.6487      0.00000
      9      32.8467      0.00000
     10      33.2116      0.00000
     11      41.6121      0.00000
     12      42.5176      0.00000

 k-point   393 :       0.5224    0.0449    0.5224
  band No.  band energies     occupation 
      1      -2.9940      2.00000
      2      -2.9751      2.00000
      3       3.2682      2.00000
      4       3.4960      2.00000
      5      14.5858      0.00000
      6      14.8325      0.00000
      7      26.6328      0.00000
      8      26.6521      0.00000
      9      32.9161      0.00000
     10      33.1963      0.00000
     11      41.7527      0.00000
     12      42.4584      0.00000

 k-point   394 :       0.5192    0.0385    0.5192
  band No.  band energies     occupation 
      1      -2.9977      2.00000
      2      -2.9840      2.00000
      3       3.3189      2.00000
      4       3.4877      2.00000
      5      14.5777      0.00000
      6      14.7603      0.00000
      7      26.6576      0.00000
      8      26.6653      0.00000
      9      32.9787      0.00000
     10      33.1829      0.00000
     11      41.8807      0.00000
     12      42.4089      0.00000

 k-point   395 :       0.5160    0.0321    0.5160
  band No.  band energies     occupation 
      1      -3.0009      2.00000
      2      -2.9915      2.00000
      3       3.3625      2.00000
      4       3.4807      2.00000
      5      14.5709      0.00000
      6      14.6986      0.00000
      7      26.6767      0.00000
      8      26.6787      0.00000
      9      33.0324      0.00000
     10      33.1717      0.00000
     11      41.9939      0.00000
     12      42.3664      0.00000

 k-point   396 :       0.5128    0.0256    0.5128
  band No.  band energies     occupation 
      1      -3.0036      2.00000
      2      -2.9976      2.00000
      3       3.3986      2.00000
      4       3.4750      2.00000
      5      14.5654      0.00000
      6      14.6477      0.00000
      7      26.6861      0.00000
      8      26.6960      0.00000
      9      33.0768      0.00000
     10      33.1624      0.00000
     11      42.0900      0.00000
     12      42.3309      0.00000

 k-point   397 :       0.5096    0.0192    0.5096
  band No.  band energies     occupation 
      1      -3.0056      2.00000
      2      -3.0022      2.00000
      3       3.4282      2.00000
      4       3.4705      2.00000
      5      14.5616      0.00000
      6      14.6079      0.00000
      7      26.6936      0.00000
      8      26.7095      0.00000
      9      33.1118      0.00000
     10      33.1665      0.00000
     11      42.1673      0.00000
     12      42.3086      0.00000

 k-point   398 :       0.5064    0.0128    0.5064
  band No.  band energies     occupation 
      1      -3.0071      2.00000
      2      -3.0056      2.00000
      3       3.4485      2.00000
      4       3.4675      2.00000
      5      14.5587      0.00000
      6      14.5792      0.00000
      7      26.7191      0.00000
      8      26.7228      0.00000
      9      33.1369      0.00000
     10      33.1614      0.00000
     11      42.2257      0.00000
     12      42.2883      0.00000

 k-point   399 :       0.5032    0.0064    0.5032
  band No.  band energies     occupation 
      1      -3.0080      2.00000
      2      -3.0076      2.00000
      3       3.4608      2.00000
      4       3.4656      2.00000
      5      14.5569      0.00000
      6      14.5620      0.00000
      7      26.7249      0.00000
      8      26.7258      0.00000
      9      33.1521      0.00000
     10      33.1582      0.00000
     11      42.2603      0.00000
     12      42.2761      0.00000

 k-point   400 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0083      2.00000
      2      -3.0083      2.00000
      3       3.4649      2.00000
      4       3.4649      2.00000
      5      14.5563      0.00000
      6      14.5563      0.00000
      7      26.7268      0.00000
      8      26.7268      0.00000
      9      33.1571      0.00000
     10      33.1571      0.00000
     11      42.2720      0.00000
     12      42.2720      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
  9.428  12.520  -0.000  -0.000  -0.000   0.000   0.000   0.000
 12.520  16.625  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -3.661   0.000   0.000   7.170  -0.000  -0.000
 -0.000  -0.000   0.000  -3.661   0.000  -0.000   7.170  -0.000
 -0.000  -0.000   0.000   0.000  -3.661  -0.000  -0.000   7.170
  0.000   0.000   7.170  -0.000  -0.000 -16.140   0.000   0.000
  0.000   0.000  -0.000   7.170  -0.000   0.000 -16.140   0.000
  0.000   0.000  -0.000  -0.000   7.170   0.000   0.000 -16.140
 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   0.000   0.667   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.667   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.667   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   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        0.832   1.759   0.000   2.591
  2        0.832   1.759   0.000   2.591
------------------------------------------------
tot        1.664   3.518   0.000   5.183
 
    CHARGE:  cpu time    0.0149: real time    0.0145
    FORLOC:  cpu time    0.0000: real time    0.0001
    FORNL :  cpu time    0.0317: real time    0.0317
    STRESS:  cpu time    0.1315: real time    0.1316
    FORCOR:  cpu time    0.0024: real time    0.0024
    FORHAR:  cpu time    0.0006: real time    0.0006
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    29.08574    29.08574    29.08574
  Ewald    -116.14727  -116.14727  -116.14727    -0.00000     0.00000     0.00000
  Hartree     8.75533     8.75533     8.75533     0.00000     0.00000     0.00000
  E(xc)     -30.46784   -30.46784   -30.46784     0.00000     0.00000     0.00000
  Local     -11.31200   -11.31200   -11.31200     0.00002     0.00002     0.00002
  n-local    -6.59469    -7.77862    -7.37733     0.32457     0.12157     0.32155
  augment    -0.72324    -0.72324    -0.72324    -0.00002    -0.00002    -0.00002
  Kinetic   124.24288   128.24347   129.89089    -3.16774    -1.98044    -3.47078
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.60041    -0.60041    -0.60041    -0.00000     0.00000    -0.00000
  in kB     -85.15116   -85.15116   -85.15116    -0.00000     0.00000    -0.00000
  external pressure =      -85.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :       11.30
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.780929366  1.780929366    -0.280752291  0.280752291  0.280752291
     1.780929366  0.000000000  1.780929366     0.280752291 -0.280752291  0.280752291
     1.780929366  1.780929366  0.000000000     0.280752291  0.280752291 -0.280752291

  length of vectors
     2.518614463  2.518614463  2.518614463     0.486277233  0.486277233  0.486277233


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.458E-06 -.458E-06 -.105E-06   0.582E-14 0.548E-14 0.750E-14   0.486E-16 0.798E-16 0.503E-16   -.250E-07 -.250E-07 -.250E-07
   0.458E-06 0.458E-06 0.105E-06   -.567E-14 -.487E-14 -.748E-14   -.312E-16 -.729E-16 -.572E-16   0.250E-07 0.250E-07 0.250E-07
 -----------------------------------------------------------------------------------------------
   0.457E-13 0.637E-13 0.666E-13   0.155E-15 0.611E-15 0.215E-16   0.173E-16 0.694E-17 -.694E-17   -.522E-15 -.332E-14 0.162E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000     -0.000000
      0.89046      0.89046      0.89046        -0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -18.81670626 eV

  energy  without entropy=      -18.81670626  energy(sigma->0) =      -18.81670626
 


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


    POTLOK:  cpu time    0.0097: real time    0.0050


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


 writing wavefunctions
     LOOP+:  cpu time    8.2117: real time    8.5924
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.832   1.759   0.000   2.591
  2        0.832   1.759   0.000   2.591
------------------------------------------------
tot        1.664   3.518   0.000   5.183
 

 total amount of memory used by VASP on root node    32915. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       1435. kBytes
   fftplans  :        105. kBytes
   grid      :        144. kBytes
   one-center:          3. kBytes
   wavefun   :       1228. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):        9.967
                            User time (sec):        8.498
                          System time (sec):        1.470
                         Elapsed time (sec):       10.665
  
                   Maximum memory used (kb):       34924.
                   Average memory used (kb):           0.
  
                          Minor page faults:        68847
                          Major page faults:            5
                 Voluntary context switches:         2731
