 vasp.5.4.1 24Jun15 (build Jul 10 2015 19:11:35) complex                        
  
 executed on           IFC91_ompi date 2016.11.10  01:14:18
 running on   40 total cores
 distrk:  each k-point on   20 cores,    2 groups
 distr:  one band on NCORES_PER_BAND=  10 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE C 08Apr2002                   

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      You have enabled k-point parallelism (KPAR>1).                         |
|      This developmental code was originally  written by Paul Kent at ORNL,  |
|      and carefully double checked in Vienna.                                |
|      GW as well as linear response parallelism added by Martijn Marsman     |
|      and Georg Kresse.                                                      |
|      Carefully verify results versus KPAR=1.                                |
|      Report problems to Paul Kent and Vienna.                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 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: cif to poscar ['C']                     
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 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       =     3.5621247044
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   1.7810623522,   1.7810623522)
 A2 = (   1.7810623522,   0.0000000000,   1.7810623522)
 A3 = (   1.7810623522,   1.7810623522,   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 .


Analysis of constrained symmetry for selective dynamics:
=====================================================================
 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 constrained configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .
 
 
 KPOINTS: k-points for band                       
  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     0.000001     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     0.000001     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 =    311   k-points in BZ     NKDIM =    311   number of bands    NBANDS=      8
   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=   4477
   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                                 
 POSCAR =  cif to poscar ['C']                     

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =     11    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  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   =     24;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   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 = -.2E-01   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      1    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  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     68    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 =  0.31E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       5.65        38.13
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.459091  2.757282 28.966075  2.128946
  Thomas-Fermi vector in A             =   2.575699
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   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
 RMM-DIIS sequential band-by-band and
  variant of blocked Davidson during initial phase
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 no mixing
 using additional bands            4
 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  =   0.05


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


  energy-cutoff  :      400.00
  volume of cell :       11.30
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.781062352  1.781062352    -0.280731328  0.280731328  0.280731328
     1.781062352  0.000000000  1.781062352     0.280731328 -0.280731328  0.280731328
     1.781062352  1.781062352  0.000000000     0.280731328  0.280731328 -0.280731328

  length of vectors
     2.518802534  2.518802534  2.518802534     0.486240924  0.486240924  0.486240924


 
 k-points in units of 2pi/SCALE and weight: k-points for band                       
   0.00000000  0.00000000  0.00000000       0.003
   0.00000000  0.01002612  0.00000000       0.003
   0.00000000  0.02005224  0.00000000       0.003
   0.00000000  0.03007836  0.00000000       0.003
   0.00000000  0.04010447  0.00000000       0.003
   0.00000000  0.05013059  0.00000000       0.003
   0.00000000  0.06015671  0.00000000       0.003
   0.00000000  0.07018283  0.00000000       0.003
   0.00000000  0.08020895  0.00000000       0.003
   0.00000000  0.09023507  0.00000000       0.003
   0.00000000  0.10026119  0.00000000       0.003
   0.00000000  0.11028731  0.00000000       0.003
   0.00000000  0.12031342  0.00000000       0.003
   0.00000000  0.13033955  0.00000000       0.003
   0.00000000  0.14036566  0.00000000       0.003
   0.00000000  0.15039178  0.00000000       0.003
   0.00000000  0.16041790  0.00000000       0.003
   0.00000000  0.17044402  0.00000000       0.003
   0.00000000  0.18047014  0.00000000       0.003
   0.00000000  0.19049626  0.00000000       0.003
   0.00000000  0.20052238  0.00000000       0.003
   0.00000000  0.21054850  0.00000000       0.003
   0.00000000  0.22057461  0.00000000       0.003
   0.00000000  0.23060074  0.00000000       0.003
   0.00000000  0.24062685  0.00000000       0.003
   0.00000000  0.25065297  0.00000000       0.003
   0.00000000  0.26067909  0.00000000       0.003
   0.00000000  0.27070521  0.00000000       0.003
   0.00000000  0.28073133  0.00000000       0.003
   0.01002612  0.28073133 -0.00000000       0.003
   0.02005224  0.28073133  0.00000000       0.003
   0.03007836  0.28073133  0.00000000       0.003
   0.04010447  0.28073133  0.00000000       0.003
   0.05013059  0.28073133  0.00000000       0.003
   0.06015671  0.28073133  0.00000000       0.003
   0.07018283  0.28073133  0.00000000       0.003
   0.08020895  0.28073133 -0.00000000       0.003
   0.09023507  0.28073133  0.00000000       0.003
   0.10026119  0.28073133  0.00000000       0.003
   0.11028731  0.28073133  0.00000000       0.003
   0.12031342  0.28073133  0.00000000       0.003
   0.13033955  0.28073133  0.00000000       0.003
   0.14036566  0.28073133  0.00000000       0.003
   0.14738395  0.27371305  0.00000000       0.003
   0.15440223  0.26669476  0.00000000       0.003
   0.16142051  0.25967648  0.00000000       0.003
   0.16843880  0.25265820  0.00000000       0.003
   0.17545708  0.24563991  0.00000000       0.003
   0.18247536  0.23862163  0.00000000       0.003
   0.18949365  0.23160335  0.00000000       0.003
   0.19651193  0.22458506  0.00000000       0.003
   0.20353021  0.21756678  0.00000000       0.003
   0.21054850  0.21054850  0.00000000       0.003
   0.20353021  0.20353021  0.00000000       0.003
   0.19651193  0.19651193  0.00000000       0.003
   0.18949365  0.18949365  0.00000000       0.003
   0.18247536  0.18247536  0.00000000       0.003
   0.17545708  0.17545708  0.00000000       0.003
   0.16843880  0.16843880  0.00000000       0.003
   0.16142051  0.16142051  0.00000000       0.003
   0.15440223  0.15440223  0.00000000       0.003
   0.14738395  0.14738395  0.00000000       0.003
   0.14036566  0.14036566  0.00000000       0.003
   0.13334738  0.13334738  0.00000000       0.003
   0.12632910  0.12632910  0.00000000       0.003
   0.11931081  0.11931081  0.00000000       0.003
   0.11229253  0.11229253  0.00000000       0.003
   0.10527425  0.10527425  0.00000000       0.003
   0.09825596  0.09825596  0.00000000       0.003
   0.09123768  0.09123768  0.00000000       0.003
   0.08421940  0.08421940  0.00000000       0.003
   0.07720112  0.07720112  0.00000000       0.003
   0.07018283  0.07018283  0.00000000       0.003
   0.06316455  0.06316455  0.00000000       0.003
   0.05614627  0.05614627  0.00000000       0.003
   0.04912798  0.04912798  0.00000000       0.003
   0.04210970  0.04210970  0.00000000       0.003
   0.03509142  0.03509142  0.00000000       0.003
   0.02807313  0.02807313  0.00000000       0.003
   0.02105485  0.02105485  0.00000000       0.003
   0.01403657  0.01403657  0.00000000       0.003
   0.00701828  0.00701828  0.00000000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00584857  0.00584857  0.00584857       0.003
   0.01169714  0.01169714  0.01169714       0.003
   0.01754571  0.01754571  0.01754571       0.003
   0.02339428  0.02339428  0.02339428       0.003
   0.02924285  0.02924285  0.02924285       0.003
   0.03509142  0.03509142  0.03509142       0.003
   0.04093998  0.04093998  0.04093998       0.003
   0.04678856  0.04678856  0.04678856       0.003
   0.05263712  0.05263712  0.05263712       0.003
   0.05848569  0.05848569  0.05848569       0.003
   0.06433426  0.06433426  0.06433426       0.003
   0.07018283  0.07018283  0.07018283       0.003
   0.07603140  0.07603140  0.07603140       0.003
   0.08187997  0.08187997  0.08187997       0.003
   0.08772854  0.08772854  0.08772854       0.003
   0.09357711  0.09357711  0.09357711       0.003
   0.09942568  0.09942568  0.09942568       0.003
   0.10527425  0.10527425  0.10527425       0.003
   0.11112282  0.11112282  0.11112282       0.003
   0.11697139  0.11697139  0.11697139       0.003
   0.12281996  0.12281996  0.12281996       0.003
   0.12866852  0.12866852  0.12866852       0.003
   0.13451710  0.13451710  0.13451710       0.003
   0.14036566  0.14036566  0.14036566       0.003
   0.13623726  0.14862247  0.13623726       0.003
   0.13210886  0.15687927  0.13210886       0.003
   0.12798046  0.16513607  0.12798046       0.003
   0.12385206  0.17339288  0.12385206       0.003
   0.11972366  0.18164968  0.11972366       0.003
   0.11559525  0.18990649  0.11559525       0.003
   0.11146685  0.19816329  0.11146685       0.003
   0.10733845  0.20642010  0.10733845       0.003
   0.10321005  0.21467690  0.10321005       0.003
   0.09908165  0.22293370  0.09908165       0.003
   0.09495324  0.23119051  0.09495324       0.003
   0.09082484  0.23944731  0.09082484       0.003
   0.08669644  0.24770412  0.08669644       0.003
   0.08256804  0.25596092  0.08256804       0.003
   0.07843963  0.26421772  0.07843963       0.003
   0.07431123  0.27247453  0.07431123       0.003
   0.07018283  0.28073133  0.07018283       0.003
   0.07720112  0.28073133  0.06316455       0.003
   0.08421940  0.28073133  0.05614627       0.003
   0.09123768  0.28073133  0.04912798       0.003
   0.09825596  0.28073133  0.04210970       0.003
   0.10527425  0.28073133  0.03509142       0.003
   0.11229253  0.28073133  0.02807313       0.003
   0.11931081  0.28073133  0.02105485       0.003
   0.12632910  0.28073133  0.01403657       0.003
   0.13334738  0.28073133  0.00701828       0.003
   0.14036566  0.28073133  0.00000000       0.003
   0.14036566  0.27371305  0.00701828       0.003
   0.14036566  0.26669476  0.01403657       0.003
   0.14036566  0.25967648  0.02105485       0.003
   0.14036566  0.25265820  0.02807313       0.003
   0.14036566  0.24563991  0.03509142       0.003
   0.14036566  0.23862163  0.04210970       0.003
   0.14036566  0.23160335  0.04912798       0.003
   0.14036566  0.22458506  0.05614627       0.003
   0.14036566  0.21756678  0.06316455       0.003
   0.14036566  0.21054850  0.07018283       0.003
   0.14036566  0.20353021  0.07720112       0.003
   0.14036566  0.19651193  0.08421940       0.003
   0.14036566  0.18949365  0.09123768       0.003
   0.14036566  0.18247536  0.09825596       0.003
   0.14036566  0.17545708  0.10527425       0.003
   0.14036566  0.16843880  0.11229253       0.003
   0.14036566  0.16142051  0.11931081       0.003
   0.14036566  0.15440223  0.12632910       0.003
   0.14036566  0.14738395  0.13334738       0.003
   0.14036566  0.14036566  0.14036566       0.003
   0.14449407  0.14449407  0.13210886       0.003
   0.14862247  0.14862247  0.12385206       0.003
   0.15275087  0.15275087  0.11559525       0.003
   0.15687927  0.15687927  0.10733845       0.003
   0.16100767  0.16100767  0.09908164       0.003
   0.16513607  0.16513607  0.09082484       0.003
   0.16926448  0.16926448  0.08256804       0.003
   0.17339288  0.17339288  0.07431123       0.003
   0.17752128  0.17752128  0.06605443       0.003
   0.18164968  0.18164968  0.05779763       0.003
   0.18577809  0.18577809  0.04954082       0.003
   0.18990649  0.18990649  0.04128402       0.003
   0.19403489  0.19403489  0.03302721       0.003
   0.19816329  0.19816329  0.02477041       0.003
   0.20229169  0.20229169  0.01651360       0.003
   0.20642010  0.20642010  0.00825680       0.003
   0.21054850  0.21054850  0.00000000       0.003
   0.07018283  0.28073133  0.07018283       0.003
   0.06316455  0.28073133  0.06316455       0.003
   0.05614627  0.28073133  0.05614627       0.003
   0.04912798  0.28073133  0.04912798       0.003
   0.04210970  0.28073133  0.04210970       0.003
   0.03509142  0.28073133  0.03509142       0.003
   0.02807313  0.28073133  0.02807313       0.003
   0.02105485  0.28073133  0.02105485       0.003
   0.01403657  0.28073133  0.01403657       0.003
   0.00701828  0.28073133  0.00701828       0.003
   0.00000000  0.28073133  0.00000000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00233943  0.00935771  0.00233943       0.003
   0.00467886  0.01871542  0.00467886       0.003
   0.00701828  0.02807313  0.00701828       0.003
   0.00935771  0.03743084  0.00935771       0.003
   0.01169714  0.04678856  0.01169714       0.003
   0.01403657  0.05614627  0.01403657       0.003
   0.01637599  0.06550398  0.01637599       0.003
   0.01871542  0.07486169  0.01871542       0.003
   0.02105485  0.08421940  0.02105485       0.003
   0.02339428  0.09357711  0.02339428       0.003
   0.02573371  0.10293482  0.02573371       0.003
   0.02807313  0.11229253  0.02807313       0.003
   0.03041256  0.12165024  0.03041256       0.003
   0.03275199  0.13100795  0.03275199       0.003
   0.03509142  0.14036566  0.03509142       0.003
   0.03743084  0.14972337  0.03743084       0.003
   0.03977027  0.15908109  0.03977027       0.003
   0.04210970  0.16843880  0.04210970       0.003
   0.04444913  0.17779651  0.04444913       0.003
   0.04678856  0.18715422  0.04678856       0.003
   0.04912798  0.19651193  0.04912798       0.003
   0.05146741  0.20586964  0.05146741       0.003
   0.05380684  0.21522735  0.05380684       0.003
   0.05614627  0.22458506  0.05614627       0.003
   0.05848569  0.23394277  0.05848569       0.003
   0.06082512  0.24330049  0.06082512       0.003
   0.06316455  0.25265820  0.06316455       0.003
   0.06550398  0.26201591  0.06550398       0.003
   0.06784341  0.27137362  0.06784341       0.003
   0.07018283  0.28073133  0.07018283       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00452793  0.00905585 -0.00000000       0.003
   0.00905585  0.01811170 -0.00000000       0.003
   0.01358377  0.02716755  0.00000000       0.003
   0.01811170  0.03622340  0.00000000       0.003
   0.02263962  0.04527925 -0.00000000       0.003
   0.02716755  0.05433509  0.00000000       0.003
   0.03169547  0.06339095  0.00000000       0.003
   0.03622340  0.07244680  0.00000000       0.003
   0.04075132  0.08150264  0.00000000       0.003
   0.04527925  0.09055849 -0.00000000       0.003
   0.04980717  0.09961434  0.00000000       0.003
   0.05433509  0.10867019 -0.00000000       0.003
   0.05886302  0.11772604  0.00000000       0.003
   0.06339095  0.12678189  0.00000000       0.003
   0.06791887  0.13583774 -0.00000000       0.003
   0.07244679  0.14489359  0.00000000       0.003
   0.07697472  0.15394944  0.00000000       0.003
   0.08150264  0.16300529  0.00000000       0.003
   0.08603057  0.17206114  0.00000000       0.003
   0.09055849  0.18111699  0.00000000       0.003
   0.09508642  0.19017284  0.00000000       0.003
   0.09961434  0.19922868  0.00000000       0.003
   0.10414227  0.20828453  0.00000000       0.003
   0.10867019  0.21734038 -0.00000000       0.003
   0.11319811  0.22639623  0.00000000       0.003
   0.11772604  0.23545208  0.00000000       0.003
   0.12225397  0.24450793  0.00000000       0.003
   0.12678189  0.25356378  0.00000000       0.003
   0.13130981  0.26261963  0.00000000       0.003
   0.13583774  0.27167548  0.00000000       0.003
   0.14036566  0.28073133  0.00000000       0.003
   0.21054850  0.21054850  0.00000000       0.003
   0.20229169  0.21467690  0.00412840       0.003
   0.19403489  0.21880530  0.00825680       0.003
   0.18577809  0.22293370  0.01238521       0.003
   0.17752128  0.22706210  0.01651361       0.003
   0.16926448  0.23119051  0.02064201       0.003
   0.16100767  0.23531891  0.02477041       0.003
   0.15275087  0.23944731  0.02889881       0.003
   0.14449407  0.24357571  0.03302722       0.003
   0.13623726  0.24770411  0.03715562       0.003
   0.12798046  0.25183251  0.04128402       0.003
   0.11972366  0.25596092  0.04541242       0.003
   0.11146685  0.26008932  0.04954082       0.003
   0.10321004  0.26421772  0.05366922       0.003
   0.09495324  0.26834612  0.05779763       0.003
   0.08669644  0.27247453  0.06192603       0.003
   0.07843963  0.27660293  0.06605443       0.003
   0.07018283  0.28073133  0.07018283       0.003
   0.21054850  0.21054850  0.00000000       0.003
   0.20097811  0.21373862  0.00000000       0.003
   0.19140772  0.21692876  0.00000000       0.003
   0.18183734  0.22011888  0.00000000       0.003
   0.17226695  0.22330901  0.00000000       0.003
   0.16269657  0.22649914  0.00000000       0.003
   0.15312618  0.22968927 -0.00000000       0.003
   0.14355579  0.23287940  0.00000000       0.003
   0.13398540  0.23606953 -0.00000000       0.003
   0.12441502  0.23925965  0.00000000       0.003
   0.11484463  0.24244979 -0.00000000       0.003
   0.10527425  0.24563991  0.00000000       0.003
   0.09570386  0.24883004  0.00000000       0.003
   0.08613348  0.25202017 -0.00000000       0.003
   0.07656309  0.25521030  0.00000000       0.003
   0.06699270  0.25840043  0.00000000       0.003
   0.05742232  0.26159056  0.00000000       0.003
   0.04785193  0.26478069 -0.00000000       0.003
   0.03828155  0.26797081  0.00000000       0.003
   0.02871116  0.27116094  0.00000000       0.003
   0.01914077  0.27435107  0.00000000       0.003
   0.00957039  0.27754120 -0.00000000       0.003
   0.00000000  0.28073133  0.00000000       0.003
   0.14036566  0.14036566  0.14036566       0.003
   0.13451710  0.14621423  0.13451710       0.003
   0.12866852  0.15206280  0.12866852       0.003
   0.12281996  0.15791137  0.12281996       0.003
   0.11697139  0.16375994  0.11697139       0.003
   0.11112282  0.16960851  0.11112282       0.003
   0.10527425  0.17545708  0.10527425       0.003
   0.09942568  0.18130565  0.09942568       0.003
   0.09357711  0.18715422  0.09357711       0.003
   0.08772854  0.19300279  0.08772854       0.003
   0.08187997  0.19885136  0.08187997       0.003
   0.07603140  0.20469993  0.07603140       0.003
   0.07018283  0.21054850  0.07018283       0.003
   0.06433426  0.21639706  0.06433426       0.003
   0.05848569  0.22224564  0.05848569       0.003
   0.05263712  0.22809420  0.05263712       0.003
   0.04678856  0.23394277  0.04678856       0.003
   0.04093998  0.23979134  0.04093998       0.003
   0.03509142  0.24563991  0.03509142       0.003
   0.02924285  0.25148848  0.02924285       0.003
   0.02339428  0.25733705  0.02339428       0.003
   0.01754571  0.26318562  0.01754571       0.003
   0.01169714  0.26903419  0.01169714       0.003
   0.00584857  0.27488276  0.00584857       0.003
   0.00000000  0.28073133  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: k-points for band                       
   0.00000000  0.00000000  0.00000000       0.003
   0.01785714  0.00000000  0.01785714       0.003
   0.03571429  0.00000000  0.03571429       0.003
   0.05357143  0.00000000  0.05357143       0.003
   0.07142857  0.00000000  0.07142857       0.003
   0.08928571  0.00000000  0.08928571       0.003
   0.10714286  0.00000000  0.10714286       0.003
   0.12500000  0.00000000  0.12500000       0.003
   0.14285714  0.00000000  0.14285714       0.003
   0.16071429  0.00000000  0.16071429       0.003
   0.17857143  0.00000000  0.17857143       0.003
   0.19642857  0.00000000  0.19642857       0.003
   0.21428571  0.00000000  0.21428571       0.003
   0.23214286  0.00000000  0.23214286       0.003
   0.25000000  0.00000000  0.25000000       0.003
   0.26785714  0.00000000  0.26785714       0.003
   0.28571429  0.00000000  0.28571429       0.003
   0.30357143  0.00000000  0.30357143       0.003
   0.32142857  0.00000000  0.32142857       0.003
   0.33928571  0.00000000  0.33928571       0.003
   0.35714286  0.00000000  0.35714286       0.003
   0.37500000  0.00000000  0.37500000       0.003
   0.39285714  0.00000000  0.39285714       0.003
   0.41071429  0.00000000  0.41071429       0.003
   0.42857143  0.00000000  0.42857143       0.003
   0.44642857  0.00000000  0.44642857       0.003
   0.46428571  0.00000000  0.46428571       0.003
   0.48214286  0.00000000  0.48214286       0.003
   0.50000000  0.00000000  0.50000000       0.003
   0.50000000  0.01785714  0.51785714       0.003
   0.50000000  0.03571429  0.53571429       0.003
   0.50000000  0.05357143  0.55357143       0.003
   0.50000000  0.07142857  0.57142857       0.003
   0.50000000  0.08928571  0.58928571       0.003
   0.50000000  0.10714286  0.60714286       0.003
   0.50000000  0.12500000  0.62500000       0.003
   0.50000000  0.14285714  0.64285714       0.003
   0.50000000  0.16071429  0.66071429       0.003
   0.50000000  0.17857143  0.67857143       0.003
   0.50000000  0.19642857  0.69642857       0.003
   0.50000000  0.21428571  0.71428571       0.003
   0.50000000  0.23214286  0.73214286       0.003
   0.50000000  0.25000000  0.75000000       0.003
   0.48750000  0.26250000  0.75000000       0.003
   0.47500000  0.27500000  0.75000000       0.003
   0.46250000  0.28750000  0.75000000       0.003
   0.45000000  0.30000000  0.75000000       0.003
   0.43750000  0.31250000  0.75000000       0.003
   0.42500000  0.32500000  0.75000000       0.003
   0.41250000  0.33750000  0.75000000       0.003
   0.40000000  0.35000000  0.75000000       0.003
   0.38750000  0.36250000  0.75000000       0.003
   0.37500000  0.37500000  0.75000000       0.003
   0.36250000  0.36250000  0.72500000       0.003
   0.35000000  0.35000000  0.70000000       0.003
   0.33750000  0.33750000  0.67500000       0.003
   0.32500000  0.32500000  0.65000000       0.003
   0.31250000  0.31250000  0.62500000       0.003
   0.30000000  0.30000000  0.60000000       0.003
   0.28750000  0.28750000  0.57500000       0.003
   0.27500000  0.27500000  0.55000000       0.003
   0.26250000  0.26250000  0.52500000       0.003
   0.25000000  0.25000000  0.50000000       0.003
   0.23750000  0.23750000  0.47500000       0.003
   0.22500000  0.22500000  0.45000000       0.003
   0.21250000  0.21250000  0.42500000       0.003
   0.20000000  0.20000000  0.40000000       0.003
   0.18750000  0.18750000  0.37500000       0.003
   0.17500000  0.17500000  0.35000000       0.003
   0.16250000  0.16250000  0.32500000       0.003
   0.15000000  0.15000000  0.30000000       0.003
   0.13750000  0.13750000  0.27500000       0.003
   0.12500000  0.12500000  0.25000000       0.003
   0.11250000  0.11250000  0.22500000       0.003
   0.10000000  0.10000000  0.20000000       0.003
   0.08750000  0.08750000  0.17500000       0.003
   0.07500000  0.07500000  0.15000000       0.003
   0.06250000  0.06250000  0.12500000       0.003
   0.05000000  0.05000000  0.10000000       0.003
   0.03750000  0.03750000  0.07500000       0.003
   0.02500000  0.02500000  0.05000000       0.003
   0.01250000  0.01250000  0.02500000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.02083333  0.02083333  0.02083333       0.003
   0.04166667  0.04166667  0.04166667       0.003
   0.06250000  0.06250000  0.06250000       0.003
   0.08333333  0.08333333  0.08333333       0.003
   0.10416667  0.10416667  0.10416667       0.003
   0.12500000  0.12500000  0.12500000       0.003
   0.14583333  0.14583333  0.14583333       0.003
   0.16666667  0.16666667  0.16666667       0.003
   0.18750000  0.18750000  0.18750000       0.003
   0.20833333  0.20833333  0.20833333       0.003
   0.22916667  0.22916667  0.22916667       0.003
   0.25000000  0.25000000  0.25000000       0.003
   0.27083333  0.27083333  0.27083333       0.003
   0.29166667  0.29166667  0.29166667       0.003
   0.31250000  0.31250000  0.31250000       0.003
   0.33333333  0.33333333  0.33333333       0.003
   0.35416667  0.35416667  0.35416667       0.003
   0.37500000  0.37500000  0.37500000       0.003
   0.39583333  0.39583333  0.39583333       0.003
   0.41666667  0.41666667  0.41666667       0.003
   0.43750000  0.43750000  0.43750000       0.003
   0.45833333  0.45833333  0.45833333       0.003
   0.47916667  0.47916667  0.47916667       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.50735294  0.48529412  0.50735294       0.003
   0.51470588  0.47058824  0.51470588       0.003
   0.52205882  0.45588235  0.52205882       0.003
   0.52941176  0.44117647  0.52941176       0.003
   0.53676471  0.42647059  0.53676471       0.003
   0.54411765  0.41176471  0.54411765       0.003
   0.55147059  0.39705882  0.55147059       0.003
   0.55882353  0.38235294  0.55882353       0.003
   0.56617647  0.36764706  0.56617647       0.003
   0.57352941  0.35294118  0.57352941       0.003
   0.58088235  0.33823529  0.58088235       0.003
   0.58823529  0.32352941  0.58823529       0.003
   0.59558824  0.30882353  0.59558824       0.003
   0.60294118  0.29411765  0.60294118       0.003
   0.61029412  0.27941176  0.61029412       0.003
   0.61764706  0.26470588  0.61764706       0.003
   0.62500000  0.25000000  0.62500000       0.003
   0.61250000  0.25000000  0.63750000       0.003
   0.60000000  0.25000000  0.65000000       0.003
   0.58750000  0.25000000  0.66250000       0.003
   0.57500000  0.25000000  0.67500000       0.003
   0.56250000  0.25000000  0.68750000       0.003
   0.55000000  0.25000000  0.70000000       0.003
   0.53750000  0.25000000  0.71250000       0.003
   0.52500000  0.25000000  0.72500000       0.003
   0.51250000  0.25000000  0.73750000       0.003
   0.50000000  0.25000000  0.75000000       0.003
   0.50000000  0.26250000  0.73750000       0.003
   0.50000000  0.27500000  0.72500000       0.003
   0.50000000  0.28750000  0.71250000       0.003
   0.50000000  0.30000000  0.70000000       0.003
   0.50000000  0.31250000  0.68750000       0.003
   0.50000000  0.32500000  0.67500000       0.003
   0.50000000  0.33750000  0.66250000       0.003
   0.50000000  0.35000000  0.65000000       0.003
   0.50000000  0.36250000  0.63750000       0.003
   0.50000000  0.37500000  0.62500000       0.003
   0.50000000  0.38750000  0.61250000       0.003
   0.50000000  0.40000000  0.60000000       0.003
   0.50000000  0.41250000  0.58750000       0.003
   0.50000000  0.42500000  0.57500000       0.003
   0.50000000  0.43750000  0.56250000       0.003
   0.50000000  0.45000000  0.55000000       0.003
   0.50000000  0.46250000  0.53750000       0.003
   0.50000000  0.47500000  0.52500000       0.003
   0.50000000  0.48750000  0.51250000       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.49264706  0.49264706  0.51470588       0.003
   0.48529412  0.48529412  0.52941176       0.003
   0.47794118  0.47794118  0.54411765       0.003
   0.47058824  0.47058824  0.55882353       0.003
   0.46323529  0.46323529  0.57352941       0.003
   0.45588235  0.45588235  0.58823529       0.003
   0.44852941  0.44852941  0.60294118       0.003
   0.44117647  0.44117647  0.61764706       0.003
   0.43382353  0.43382353  0.63235294       0.003
   0.42647059  0.42647059  0.64705882       0.003
   0.41911765  0.41911765  0.66176471       0.003
   0.41176471  0.41176471  0.67647059       0.003
   0.40441176  0.40441176  0.69117647       0.003
   0.39705882  0.39705882  0.70588235       0.003
   0.38970588  0.38970588  0.72058824       0.003
   0.38235294  0.38235294  0.73529412       0.003
   0.37500000  0.37500000  0.75000000       0.003
   0.62500000  0.25000000  0.62500000       0.003
   0.61250000  0.22500000  0.61250000       0.003
   0.60000000  0.20000000  0.60000000       0.003
   0.58750000  0.17500000  0.58750000       0.003
   0.57500000  0.15000000  0.57500000       0.003
   0.56250000  0.12500000  0.56250000       0.003
   0.55000000  0.10000000  0.55000000       0.003
   0.53750000  0.07500000  0.53750000       0.003
   0.52500000  0.05000000  0.52500000       0.003
   0.51250000  0.02500000  0.51250000       0.003
   0.50000000  0.00000000  0.50000000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.02083333  0.00833333  0.02083333       0.003
   0.04166667  0.01666667  0.04166667       0.003
   0.06250000  0.02500000  0.06250000       0.003
   0.08333333  0.03333333  0.08333333       0.003
   0.10416667  0.04166667  0.10416667       0.003
   0.12500000  0.05000000  0.12500000       0.003
   0.14583333  0.05833333  0.14583333       0.003
   0.16666667  0.06666667  0.16666667       0.003
   0.18750000  0.07500000  0.18750000       0.003
   0.20833333  0.08333333  0.20833333       0.003
   0.22916667  0.09166667  0.22916667       0.003
   0.25000000  0.10000000  0.25000000       0.003
   0.27083333  0.10833333  0.27083333       0.003
   0.29166667  0.11666667  0.29166667       0.003
   0.31250000  0.12500000  0.31250000       0.003
   0.33333333  0.13333333  0.33333333       0.003
   0.35416667  0.14166667  0.35416667       0.003
   0.37500000  0.15000000  0.37500000       0.003
   0.39583333  0.15833333  0.39583333       0.003
   0.41666667  0.16666667  0.41666667       0.003
   0.43750000  0.17500000  0.43750000       0.003
   0.45833333  0.18333333  0.45833333       0.003
   0.47916667  0.19166667  0.47916667       0.003
   0.50000000  0.20000000  0.50000000       0.003
   0.52083333  0.20833333  0.52083333       0.003
   0.54166667  0.21666667  0.54166667       0.003
   0.56250000  0.22500000  0.56250000       0.003
   0.58333333  0.23333333  0.58333333       0.003
   0.60416667  0.24166667  0.60416667       0.003
   0.62500000  0.25000000  0.62500000       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.01612903  0.00806452  0.02419355       0.003
   0.03225806  0.01612903  0.04838710       0.003
   0.04838710  0.02419355  0.07258065       0.003
   0.06451613  0.03225806  0.09677419       0.003
   0.08064516  0.04032258  0.12096774       0.003
   0.09677419  0.04838710  0.14516129       0.003
   0.11290323  0.05645161  0.16935484       0.003
   0.12903226  0.06451613  0.19354839       0.003
   0.14516129  0.07258065  0.21774194       0.003
   0.16129032  0.08064516  0.24193548       0.003
   0.17741935  0.08870968  0.26612903       0.003
   0.19354839  0.09677419  0.29032258       0.003
   0.20967742  0.10483871  0.31451613       0.003
   0.22580645  0.11290323  0.33870968       0.003
   0.24193548  0.12096774  0.36290323       0.003
   0.25806452  0.12903226  0.38709677       0.003
   0.27419355  0.13709677  0.41129032       0.003
   0.29032258  0.14516129  0.43548387       0.003
   0.30645161  0.15322581  0.45967742       0.003
   0.32258065  0.16129032  0.48387097       0.003
   0.33870968  0.16935484  0.50806452       0.003
   0.35483871  0.17741935  0.53225806       0.003
   0.37096774  0.18548387  0.55645161       0.003
   0.38709677  0.19354839  0.58064516       0.003
   0.40322581  0.20161290  0.60483871       0.003
   0.41935484  0.20967742  0.62903226       0.003
   0.43548387  0.21774194  0.65322581       0.003
   0.45161290  0.22580645  0.67741935       0.003
   0.46774194  0.23387097  0.70161290       0.003
   0.48387097  0.24193548  0.72580645       0.003
   0.50000000  0.25000000  0.75000000       0.003
   0.37500000  0.37500000  0.75000000       0.003
   0.38970588  0.36764706  0.74264706       0.003
   0.40441176  0.36029412  0.73529412       0.003
   0.41911765  0.35294118  0.72794118       0.003
   0.43382353  0.34558824  0.72058824       0.003
   0.44852941  0.33823529  0.71323529       0.003
   0.46323529  0.33088235  0.70588235       0.003
   0.47794118  0.32352941  0.69852941       0.003
   0.49264706  0.31617647  0.69117647       0.003
   0.50735294  0.30882353  0.68382353       0.003
   0.52205882  0.30147059  0.67647059       0.003
   0.53676471  0.29411765  0.66911765       0.003
   0.55147059  0.28676471  0.66176471       0.003
   0.56617647  0.27941176  0.65441176       0.003
   0.58088235  0.27205882  0.64705882       0.003
   0.59558824  0.26470588  0.63970588       0.003
   0.61029412  0.25735294  0.63235294       0.003
   0.62500000  0.25000000  0.62500000       0.003
   0.37500000  0.37500000  0.75000000       0.003
   0.38068182  0.35795455  0.73863636       0.003
   0.38636364  0.34090909  0.72727273       0.003
   0.39204545  0.32386364  0.71590909       0.003
   0.39772727  0.30681818  0.70454545       0.003
   0.40340909  0.28977273  0.69318182       0.003
   0.40909091  0.27272727  0.68181818       0.003
   0.41477273  0.25568182  0.67045455       0.003
   0.42045455  0.23863636  0.65909091       0.003
   0.42613636  0.22159091  0.64772727       0.003
   0.43181818  0.20454545  0.63636364       0.003
   0.43750000  0.18750000  0.62500000       0.003
   0.44318182  0.17045455  0.61363636       0.003
   0.44886364  0.15340909  0.60227273       0.003
   0.45454545  0.13636364  0.59090909       0.003
   0.46022727  0.11931818  0.57954545       0.003
   0.46590909  0.10227273  0.56818182       0.003
   0.47159091  0.08522727  0.55681818       0.003
   0.47727273  0.06818182  0.54545455       0.003
   0.48295455  0.05113636  0.53409091       0.003
   0.48863636  0.03409091  0.52272727       0.003
   0.49431818  0.01704545  0.51136364       0.003
   0.50000000  0.00000000  0.50000000       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.50000000  0.47916667  0.50000000       0.003
   0.50000000  0.45833333  0.50000000       0.003
   0.50000000  0.43750000  0.50000000       0.003
   0.50000000  0.41666667  0.50000000       0.003
   0.50000000  0.39583333  0.50000000       0.003
   0.50000000  0.37500000  0.50000000       0.003
   0.50000000  0.35416667  0.50000000       0.003
   0.50000000  0.33333333  0.50000000       0.003
   0.50000000  0.31250000  0.50000000       0.003
   0.50000000  0.29166667  0.50000000       0.003
   0.50000000  0.27083333  0.50000000       0.003
   0.50000000  0.25000000  0.50000000       0.003
   0.50000000  0.22916667  0.50000000       0.003
   0.50000000  0.20833333  0.50000000       0.003
   0.50000000  0.18750000  0.50000000       0.003
   0.50000000  0.16666667  0.50000000       0.003
   0.50000000  0.14583333  0.50000000       0.003
   0.50000000  0.12500000  0.50000000       0.003
   0.50000000  0.10416667  0.50000000       0.003
   0.50000000  0.08333333  0.50000000       0.003
   0.50000000  0.06250000  0.50000000       0.003
   0.50000000  0.04166667  0.50000000       0.003
   0.50000000  0.02083333  0.50000000       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
   0.89053118  0.89053118  0.89053118
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     181
 k-point  2 :   0.0179 0.0000 0.0179  plane waves:     181
 k-point  3 :   0.0357 0.0000 0.0357  plane waves:     181
 k-point  4 :   0.0536 0.0000 0.0536  plane waves:     181
 k-point  5 :   0.0714 0.0000 0.0714  plane waves:     189
 k-point  6 :   0.0893 0.0000 0.0893  plane waves:     189
 k-point  7 :   0.1071 0.0000 0.1071  plane waves:     186
 k-point  8 :   0.1250 0.0000 0.1250  plane waves:     194
 k-point  9 :   0.1429 0.0000 0.1429  plane waves:     194
 k-point 10 :   0.1607 0.0000 0.1607  plane waves:     202
 k-point 11 :   0.1786 0.0000 0.1786  plane waves:     202
 k-point 12 :   0.1964 0.0000 0.1964  plane waves:     202
 k-point 13 :   0.2143 0.0000 0.2143  plane waves:     202
 k-point 14 :   0.2321 0.0000 0.2321  plane waves:     202
 k-point 15 :   0.2500 0.0000 0.2500  plane waves:     202
 k-point 16 :   0.2679 0.0000 0.2679  plane waves:     202
 k-point 17 :   0.2857 0.0000 0.2857  plane waves:     206
 k-point 18 :   0.3036 0.0000 0.3036  plane waves:     206
 k-point 19 :   0.3214 0.0000 0.3214  plane waves:     202
 k-point 20 :   0.3393 0.0000 0.3393  plane waves:     202
 k-point 21 :   0.3571 0.0000 0.3571  plane waves:     206
 k-point 22 :   0.3750 0.0000 0.3750  plane waves:     206
 k-point 23 :   0.3929 0.0000 0.3929  plane waves:     206
 k-point 24 :   0.4107 0.0000 0.4107  plane waves:     206
 k-point 25 :   0.4286 0.0000 0.4286  plane waves:     206
 k-point 26 :   0.4464 0.0000 0.4464  plane waves:     206
 k-point 27 :   0.4643 0.0000 0.4643  plane waves:     210
 k-point 28 :   0.4821 0.0000 0.4821  plane waves:     210
 k-point 29 :   0.5000 0.0000 0.5000  plane waves:     206
 k-point 30 :   0.5000 0.0179 0.5179  plane waves:     208
 k-point 31 :   0.5000 0.0357 0.5357  plane waves:     214
 k-point 32 :   0.5000 0.0536 0.5536  plane waves:     210
 k-point 33 :   0.5000 0.0714 0.5714  plane waves:     210
 k-point 34 :   0.5000 0.0893 0.5893  plane waves:     206
 k-point 35 :   0.5000 0.1071 0.6071  plane waves:     206
 k-point 36 :   0.5000 0.1250 0.6250  plane waves:     206
 k-point 37 :   0.5000 0.1429 0.6429  plane waves:     208
 k-point 38 :   0.5000 0.1607 0.6607  plane waves:     208
 k-point 39 :   0.5000 0.1786 0.6786  plane waves:     208
 k-point 40 :   0.5000 0.1964 0.6964  plane waves:     204
 k-point 41 :   0.5000 0.2143 0.7143  plane waves:     204
 k-point 42 :   0.5000 0.2321 0.7321  plane waves:     208
 k-point 43 :   0.5000 0.2500 0.7500  plane waves:     208
 k-point 44 :   0.4875 0.2625 0.7500  plane waves:     208
 k-point 45 :   0.4750 0.2750 0.7500  plane waves:     206
 k-point 46 :   0.4625 0.2875 0.7500  plane waves:     206
 k-point 47 :   0.4500 0.3000 0.7500  plane waves:     206
 k-point 48 :   0.4375 0.3125 0.7500  plane waves:     208
 k-point 49 :   0.4250 0.3250 0.7500  plane waves:     206
 k-point 50 :   0.4125 0.3375 0.7500  plane waves:     209
 k-point 51 :   0.4000 0.3500 0.7500  plane waves:     209
 k-point 52 :   0.3875 0.3625 0.7500  plane waves:     208
 k-point 53 :   0.3750 0.3750 0.7500  plane waves:     208
 k-point 54 :   0.3625 0.3625 0.7250  plane waves:     208
 k-point 55 :   0.3500 0.3500 0.7000  plane waves:     212
 k-point 56 :   0.3375 0.3375 0.6750  plane waves:     212
 k-point 57 :   0.3250 0.3250 0.6500  plane waves:     212
 k-point 58 :   0.3125 0.3125 0.6250  plane waves:     208
 k-point 59 :   0.3000 0.3000 0.6000  plane waves:     208
 k-point 60 :   0.2875 0.2875 0.5750  plane waves:     204
 k-point 61 :   0.2750 0.2750 0.5500  plane waves:     204
 k-point 62 :   0.2625 0.2625 0.5250  plane waves:     204
 k-point 63 :   0.2500 0.2500 0.5000  plane waves:     210
 k-point 64 :   0.2375 0.2375 0.4750  plane waves:     210
 k-point 65 :   0.2250 0.2250 0.4500  plane waves:     210
 k-point 66 :   0.2125 0.2125 0.4250  plane waves:     210
 k-point 67 :   0.2000 0.2000 0.4000  plane waves:     208
 k-point 68 :   0.1875 0.1875 0.3750  plane waves:     200
 k-point 69 :   0.1750 0.1750 0.3500  plane waves:     200
 k-point 70 :   0.1625 0.1625 0.3250  plane waves:     200
 k-point 71 :   0.1500 0.1500 0.3000  plane waves:     200
 k-point 72 :   0.1375 0.1375 0.2750  plane waves:     200
 k-point 73 :   0.1250 0.1250 0.2500  plane waves:     200
 k-point 74 :   0.1125 0.1125 0.2250  plane waves:     200
 k-point 75 :   0.1000 0.1000 0.2000  plane waves:     204
 k-point 76 :   0.0875 0.0875 0.1750  plane waves:     198
 k-point 77 :   0.0750 0.0750 0.1500  plane waves:     190
 k-point 78 :   0.0625 0.0625 0.1250  plane waves:     188
 k-point 79 :   0.0500 0.0500 0.1000  plane waves:     185
 k-point 80 :   0.0375 0.0375 0.0750  plane waves:     181
 k-point 81 :   0.0250 0.0250 0.0500  plane waves:     181
 k-point 82 :   0.0125 0.0125 0.0250  plane waves:     181
 k-point 83 :   0.0000 0.0000 0.0000  plane waves:     181
 k-point 84 :   0.0208 0.0208 0.0208  plane waves:     181
 k-point 85 :   0.0417 0.0417 0.0417  plane waves:     181
 k-point 86 :   0.0625 0.0625 0.0625  plane waves:     181
 k-point 87 :   0.0833 0.0833 0.0833  plane waves:     187
 k-point 88 :   0.1042 0.1042 0.1042  plane waves:     193
 k-point 89 :   0.1250 0.1250 0.1250  plane waves:     193
 k-point 90 :   0.1458 0.1458 0.1458  plane waves:     193
 k-point 91 :   0.1667 0.1667 0.1667  plane waves:     193
 k-point 92 :   0.1875 0.1875 0.1875  plane waves:     193
 k-point 93 :   0.2083 0.2083 0.2083  plane waves:     199
 k-point 94 :   0.2292 0.2292 0.2292  plane waves:     199
 k-point 95 :   0.2500 0.2500 0.2500  plane waves:     205
 k-point 96 :   0.2708 0.2708 0.2708  plane waves:     205
 k-point 97 :   0.2917 0.2917 0.2917  plane waves:     205
 k-point 98 :   0.3125 0.3125 0.3125  plane waves:     205
 k-point 99 :   0.3333 0.3333 0.3333  plane waves:     205
 k-point ** :   0.3542 0.3542 0.3542  plane waves:     204
 k-point ** :   0.3750 0.3750 0.3750  plane waves:     204
 k-point ** :   0.3958 0.3958 0.3958  plane waves:     204
 k-point ** :   0.4167 0.4167 0.4167  plane waves:     204
 k-point ** :   0.4375 0.4375 0.4375  plane waves:     210
 k-point ** :   0.4583 0.4583 0.4583  plane waves:     210
 k-point ** :   0.4792 0.4792 0.4792  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.5074 0.4853 0.5074  plane waves:     210
 k-point ** :   0.5147 0.4706 0.5147  plane waves:     210
 k-point ** :   0.5221 0.4559 0.5221  plane waves:     208
 k-point ** :   0.5294 0.4412 0.5294  plane waves:     208
 k-point ** :   0.5368 0.4265 0.5368  plane waves:     207
 k-point ** :   0.5441 0.4118 0.5441  plane waves:     207
 k-point ** :   0.5515 0.3971 0.5515  plane waves:     207
 k-point ** :   0.5588 0.3824 0.5588  plane waves:     208
 k-point ** :   0.5662 0.3676 0.5662  plane waves:     206
 k-point ** :   0.5735 0.3529 0.5735  plane waves:     210
 k-point ** :   0.5809 0.3382 0.5809  plane waves:     212
 k-point ** :   0.5882 0.3235 0.5882  plane waves:     212
 k-point ** :   0.5956 0.3088 0.5956  plane waves:     214
 k-point ** :   0.6029 0.2941 0.6029  plane waves:     210
 k-point ** :   0.6103 0.2794 0.6103  plane waves:     210
 k-point ** :   0.6176 0.2647 0.6176  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.6125 0.2500 0.6375  plane waves:     208
 k-point ** :   0.6000 0.2500 0.6500  plane waves:     209
 k-point ** :   0.5875 0.2500 0.6625  plane waves:     209
 k-point ** :   0.5750 0.2500 0.6750  plane waves:     206
 k-point ** :   0.5625 0.2500 0.6875  plane waves:     208
 k-point ** :   0.5500 0.2500 0.7000  plane waves:     206
 k-point ** :   0.5375 0.2500 0.7125  plane waves:     206
 k-point ** :   0.5250 0.2500 0.7250  plane waves:     206
 k-point ** :   0.5125 0.2500 0.7375  plane waves:     208
 k-point ** :   0.5000 0.2500 0.7500  plane waves:     208
 k-point ** :   0.5000 0.2625 0.7375  plane waves:     208
 k-point ** :   0.5000 0.2750 0.7250  plane waves:     206
 k-point ** :   0.5000 0.2875 0.7125  plane waves:     206
 k-point ** :   0.5000 0.3000 0.7000  plane waves:     206
 k-point ** :   0.5000 0.3125 0.6875  plane waves:     208
 k-point ** :   0.5000 0.3250 0.6750  plane waves:     208
 k-point ** :   0.5000 0.3375 0.6625  plane waves:     204
 k-point ** :   0.5000 0.3500 0.6500  plane waves:     204
 k-point ** :   0.5000 0.3625 0.6375  plane waves:     202
 k-point ** :   0.5000 0.3750 0.6250  plane waves:     200
 k-point ** :   0.5000 0.3875 0.6125  plane waves:     204
 k-point ** :   0.5000 0.4000 0.6000  plane waves:     208
 k-point ** :   0.5000 0.4125 0.5875  plane waves:     206
 k-point ** :   0.5000 0.4250 0.5750  plane waves:     206
 k-point ** :   0.5000 0.4375 0.5625  plane waves:     204
 k-point ** :   0.5000 0.4500 0.5500  plane waves:     210
 k-point ** :   0.5000 0.4625 0.5375  plane waves:     210
 k-point ** :   0.5000 0.4750 0.5250  plane waves:     210
 k-point ** :   0.5000 0.4875 0.5125  plane waves:     210
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.4926 0.4926 0.5147  plane waves:     210
 k-point ** :   0.4853 0.4853 0.5294  plane waves:     210
 k-point ** :   0.4779 0.4779 0.5441  plane waves:     208
 k-point ** :   0.4706 0.4706 0.5588  plane waves:     208
 k-point ** :   0.4632 0.4632 0.5735  plane waves:     207
 k-point ** :   0.4559 0.4559 0.5882  plane waves:     207
 k-point ** :   0.4485 0.4485 0.6029  plane waves:     207
 k-point ** :   0.4412 0.4412 0.6176  plane waves:     208
 k-point ** :   0.4338 0.4338 0.6324  plane waves:     206
 k-point ** :   0.4265 0.4265 0.6471  plane waves:     210
 k-point ** :   0.4191 0.4191 0.6618  plane waves:     212
 k-point ** :   0.4118 0.4118 0.6765  plane waves:     212
 k-point ** :   0.4044 0.4044 0.6912  plane waves:     214
 k-point ** :   0.3971 0.3971 0.7059  plane waves:     210
 k-point ** :   0.3897 0.3897 0.7206  plane waves:     210
 k-point ** :   0.3824 0.3824 0.7353  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 ** :   0.6125 0.2250 0.6125  plane waves:     208
 k-point ** :   0.6000 0.2000 0.6000  plane waves:     208
 k-point ** :   0.5875 0.1750 0.5875  plane waves:     208
 k-point ** :   0.5750 0.1500 0.5750  plane waves:     208
 k-point ** :   0.5625 0.1250 0.5625  plane waves:     208
 k-point ** :   0.5500 0.1000 0.5500  plane waves:     208
 k-point ** :   0.5375 0.0750 0.5375  plane waves:     210
 k-point ** :   0.5250 0.0500 0.5250  plane waves:     208
 k-point ** :   0.5125 0.0250 0.5125  plane waves:     210
 k-point ** :   0.5000 0.0000 0.5000  plane waves:     206
 k-point ** :   0.0000 0.0000 0.0000  plane waves:     181
 k-point ** :   0.0208 0.0083 0.0208  plane waves:     181
 k-point ** :   0.0417 0.0167 0.0417  plane waves:     181
 k-point ** :   0.0625 0.0250 0.0625  plane waves:     181
 k-point ** :   0.0833 0.0333 0.0833  plane waves:     185
 k-point ** :   0.1042 0.0417 0.1042  plane waves:     193
 k-point ** :   0.1250 0.0500 0.1250  plane waves:     192
 k-point ** :   0.1458 0.0583 0.1458  plane waves:     196
 k-point ** :   0.1667 0.0667 0.1667  plane waves:     198
 k-point ** :   0.1875 0.0750 0.1875  plane waves:     197
 k-point ** :   0.2083 0.0833 0.2083  plane waves:     197
 k-point ** :   0.2292 0.0917 0.2292  plane waves:     201
 k-point ** :   0.2500 0.1000 0.2500  plane waves:     200
 k-point ** :   0.2708 0.1083 0.2708  plane waves:     200
 k-point ** :   0.2917 0.1167 0.2917  plane waves:     200
 k-point ** :   0.3125 0.1250 0.3125  plane waves:     200
 k-point ** :   0.3333 0.1333 0.3333  plane waves:     208
 k-point ** :   0.3542 0.1417 0.3542  plane waves:     208
 k-point ** :   0.3750 0.1500 0.3750  plane waves:     207
 k-point ** :   0.3958 0.1583 0.3958  plane waves:     207
 k-point ** :   0.4167 0.1667 0.4167  plane waves:     207
 k-point ** :   0.4375 0.1750 0.4375  plane waves:     205
 k-point ** :   0.4583 0.1833 0.4583  plane waves:     207
 k-point ** :   0.4792 0.1917 0.4792  plane waves:     208
 k-point ** :   0.5000 0.2000 0.5000  plane waves:     209
 k-point ** :   0.5208 0.2083 0.5208  plane waves:     209
 k-point ** :   0.5417 0.2167 0.5417  plane waves:     209
 k-point ** :   0.5625 0.2250 0.5625  plane waves:     208
 k-point ** :   0.5833 0.2333 0.5833  plane waves:     208
 k-point ** :   0.6042 0.2417 0.6042  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.0000 0.0000 0.0000  plane waves:     181
 k-point ** :   0.0161 0.0081 0.0242  plane waves:     181
 k-point ** :   0.0323 0.0161 0.0484  plane waves:     181
 k-point ** :   0.0484 0.0242 0.0726  plane waves:     181
 k-point ** :   0.0645 0.0323 0.0968  plane waves:     187
 k-point ** :   0.0806 0.0403 0.1210  plane waves:     188
 k-point ** :   0.0968 0.0484 0.1452  plane waves:     197
 k-point ** :   0.1129 0.0565 0.1694  plane waves:     195
 k-point ** :   0.1290 0.0645 0.1935  plane waves:     197
 k-point ** :   0.1452 0.0726 0.2177  plane waves:     201
 k-point ** :   0.1613 0.0806 0.2419  plane waves:     203
 k-point ** :   0.1774 0.0887 0.2661  plane waves:     203
 k-point ** :   0.1935 0.0968 0.2903  plane waves:     203
 k-point ** :   0.2097 0.1048 0.3145  plane waves:     203
 k-point ** :   0.2258 0.1129 0.3387  plane waves:     203
 k-point ** :   0.2419 0.1210 0.3629  plane waves:     204
 k-point ** :   0.2581 0.1290 0.3871  plane waves:     204
 k-point ** :   0.2742 0.1371 0.4113  plane waves:     206
 k-point ** :   0.2903 0.1452 0.4355  plane waves:     206
 k-point ** :   0.3065 0.1532 0.4597  plane waves:     206
 k-point ** :   0.3226 0.1613 0.4839  plane waves:     206
 k-point ** :   0.3387 0.1694 0.5081  plane waves:     206
 k-point ** :   0.3548 0.1774 0.5323  plane waves:     204
 k-point ** :   0.3710 0.1855 0.5565  plane waves:     206
 k-point ** :   0.3871 0.1935 0.5806  plane waves:     208
 k-point ** :   0.4032 0.2016 0.6048  plane waves:     210
 k-point ** :   0.4194 0.2097 0.6290  plane waves:     208
 k-point ** :   0.4355 0.2177 0.6532  plane waves:     208
 k-point ** :   0.4516 0.2258 0.6774  plane waves:     206
 k-point ** :   0.4677 0.2339 0.7016  plane waves:     206
 k-point ** :   0.4839 0.2419 0.7258  plane waves:     208
 k-point ** :   0.5000 0.2500 0.7500  plane waves:     208
 k-point ** :   0.3750 0.3750 0.7500  plane waves:     208
 k-point ** :   0.3897 0.3676 0.7426  plane waves:     208
 k-point ** :   0.4044 0.3603 0.7353  plane waves:     207
 k-point ** :   0.4191 0.3529 0.7279  plane waves:     208
 k-point ** :   0.4338 0.3456 0.7206  plane waves:     208
 k-point ** :   0.4485 0.3382 0.7132  plane waves:     208
 k-point ** :   0.4632 0.3309 0.7059  plane waves:     207
 k-point ** :   0.4779 0.3235 0.6985  plane waves:     207
 k-point ** :   0.4926 0.3162 0.6912  plane waves:     208
 k-point ** :   0.5074 0.3088 0.6838  plane waves:     208
 k-point ** :   0.5221 0.3015 0.6765  plane waves:     207
 k-point ** :   0.5368 0.2941 0.6691  plane waves:     207
 k-point ** :   0.5515 0.2868 0.6618  plane waves:     208
 k-point ** :   0.5662 0.2794 0.6544  plane waves:     208
 k-point ** :   0.5809 0.2721 0.6471  plane waves:     208
 k-point ** :   0.5956 0.2647 0.6397  plane waves:     207
 k-point ** :   0.6103 0.2574 0.6324  plane waves:     208
 k-point ** :   0.6250 0.2500 0.6250  plane waves:     208
 k-point ** :   0.3750 0.3750 0.7500  plane waves:     208
 k-point ** :   0.3807 0.3580 0.7386  plane waves:     210
 k-point ** :   0.3864 0.3409 0.7273  plane waves:     209
 k-point ** :   0.3920 0.3239 0.7159  plane waves:     209
 k-point ** :   0.3977 0.3068 0.7045  plane waves:     207
 k-point ** :   0.4034 0.2898 0.6932  plane waves:     206
 k-point ** :   0.4091 0.2727 0.6818  plane waves:     208
 k-point ** :   0.4148 0.2557 0.6705  plane waves:     206
 k-point ** :   0.4205 0.2386 0.6591  plane waves:     206
 k-point ** :   0.4261 0.2216 0.6477  plane waves:     208
 k-point ** :   0.4318 0.2045 0.6364  plane waves:     210
 k-point ** :   0.4375 0.1875 0.6250  plane waves:     208
 k-point ** :   0.4432 0.1705 0.6136  plane waves:     208
 k-point ** :   0.4489 0.1534 0.6023  plane waves:     210
 k-point ** :   0.4545 0.1364 0.5909  plane waves:     209
 k-point ** :   0.4602 0.1193 0.5795  plane waves:     208
 k-point ** :   0.4659 0.1023 0.5682  plane waves:     208
 k-point ** :   0.4716 0.0852 0.5568  plane waves:     208
 k-point ** :   0.4773 0.0682 0.5455  plane waves:     208
 k-point ** :   0.4830 0.0511 0.5341  plane waves:     208
 k-point ** :   0.4886 0.0341 0.5227  plane waves:     212
 k-point ** :   0.4943 0.0170 0.5114  plane waves:     210
 k-point ** :   0.5000 0.0000 0.5000  plane waves:     206
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     210
 k-point ** :   0.5000 0.4792 0.5000  plane waves:     210
 k-point ** :   0.5000 0.4583 0.5000  plane waves:     210
 k-point ** :   0.5000 0.4375 0.5000  plane waves:     210
 k-point ** :   0.5000 0.4167 0.5000  plane waves:     208
 k-point ** :   0.5000 0.3958 0.5000  plane waves:     210
 k-point ** :   0.5000 0.3750 0.5000  plane waves:     206
 k-point ** :   0.5000 0.3542 0.5000  plane waves:     204
 k-point ** :   0.5000 0.3333 0.5000  plane waves:     203
 k-point ** :   0.5000 0.3125 0.5000  plane waves:     205
 k-point ** :   0.5000 0.2917 0.5000  plane waves:     205
 k-point ** :   0.5000 0.2708 0.5000  plane waves:     206
 k-point ** :   0.5000 0.2500 0.5000  plane waves:     211
 k-point ** :   0.5000 0.2292 0.5000  plane waves:     209
 k-point ** :   0.5000 0.2083 0.5000  plane waves:     209
 k-point ** :   0.5000 0.1875 0.5000  plane waves:     209
 k-point ** :   0.5000 0.1667 0.5000  plane waves:     209
 k-point ** :   0.5000 0.1458 0.5000  plane waves:     209
 k-point ** :   0.5000 0.1250 0.5000  plane waves:     209
 k-point ** :   0.5000 0.1042 0.5000  plane waves:     209
 k-point ** :   0.5000 0.0833 0.5000  plane waves:     209
 k-point ** :   0.5000 0.0625 0.5000  plane waves:     208
 k-point ** :   0.5000 0.0417 0.5000  plane waves:     209
 k-point ** :   0.5000 0.0208 0.5000  plane waves:     209
 k-point ** :   0.5000 0.0000 0.5000  plane waves:     206

 maximum and minimum number of plane-waves per node :        26       15

 maximum number of plane-waves:       214
 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    31325. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :        478. kBytes
   fftplans  :         85. kBytes
   grid      :        123. kBytes
   one-center:          3. kBytes
   wavefun   :        636. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0003
 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    0.0020: real time    0.0020


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


    POTLOK:  cpu time    0.0030: real time    0.0020
    SETDIJ:  cpu time    0.0000: real time    0.0004
     EDDAV:  cpu time    0.3070: real time    0.3070
       DOS:  cpu time    0.0020: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time    0.3150: real time    0.3177

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) :-0.2718422E+01  (-0.4308587E+03)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00025841
  eigenvalues    EBANDS =        21.76719657
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -2.71842234 eV

  energy without entropy =       -2.71816393  energy(sigma->0) =       -2.71829313


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




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


     EDDAV:  cpu time    0.4259: real time    0.4257
       DOS:  cpu time    0.0010: real time    0.0009
    --------------------------------------------
      LOOP:  cpu time    0.4279: real time    0.4320

 eigenvalue-minimisations  :  7600
 total energy-change (2. order) :-0.1375823E+02  (-0.1257360E+02)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.00871266
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47664784 eV

  energy without entropy =      -16.47664784  energy(sigma->0) =      -16.47664784


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




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


     EDDAV:  cpu time    0.3100: real time    0.3098
       DOS:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    0.3110: real time    0.3159

 eigenvalue-minimisations  :  5512
 total energy-change (2. order) :-0.7805061E-01  (-0.7805061E-01)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.93066205
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.55469845 eV

  energy without entropy =      -16.55469845  energy(sigma->0) =      -16.55469845


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




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


     EDDAV:  cpu time    0.3929: real time    0.3928
       DOS:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    0.3949: real time    0.3990

 eigenvalue-minimisations  :  7144
 total energy-change (2. order) :-0.8062701E-04  (-0.8062766E-04)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.93058142
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.55477908 eV

  energy without entropy =      -16.55477908  energy(sigma->0) =      -16.55477908


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




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


     EDDAV:  cpu time    0.2990: real time    0.2992
       DOS:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    0.3000: real time    0.3062

 eigenvalue-minimisations  :  5344
 total energy-change (2. order) :-0.4285835E-07  (-0.4285039E-07)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.93058138
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.55477912 eV

  energy without entropy =      -16.55477912  energy(sigma->0) =      -16.55477912


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




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


    EDDIAG:  cpu time    0.1640: real time    0.1639
  RMM-DIIS:  cpu time    0.0970: real time    0.0965
    ORTHCH:  cpu time    0.0100: real time    0.0103
       DOS:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    0.2720: real time    0.2778

 eigenvalue-minimisations  :  1424
 total energy-change (2. order) :-0.2285105E-10  (-0.2276758E-10)
 number of electron       7.9999996 magnetization 
 augmentation part        7.9999996 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        29.07922520
  Ewald energy   TEWEN  =      -348.41563486
  -Hartree energ DENC   =       -26.31694218
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        28.23541046
  PAW double counting   =       793.09970726     -794.42157412
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.93058138
  atomic energy  EATOM  =       294.25444774
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.55477912 eV

  energy without entropy =      -16.55477912  energy(sigma->0) =      -16.55477912


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991
  (the norm of the test charge is              1.0000)
       1 -45.3514       2 -45.3514
 
 
 
 E-fermi :  10.0432     XC(G=0): -13.2702     alpha+bet :-17.7391


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7469      2.00000
      2       9.8066      2.00000
      3       9.8066      2.00000
      4       9.8066      2.00000
      5      15.4057      0.00000
      6      15.4057      0.00000
      7      15.4057      0.00000
      8      23.1993      0.00000

 k-point     2 :       0.0179    0.0000    0.0179
  band No.  band energies     occupation 
      1     -11.7350      2.00000
      2       9.7554      2.00000
      3       9.7554      2.00000
      4       9.7772      2.00000
      5      15.3961      0.00000
      6      15.4673      0.00000
      7      15.4673      0.00000
      8      23.2098      0.00000

 k-point     3 :       0.0357    0.0000    0.0357
  band No.  band energies     occupation 
      1     -11.6996      2.00000
      2       9.6088      2.00000
      3       9.6088      2.00000
      4       9.6897      2.00000
      5      15.3675      0.00000
      6      15.6453      0.00000
      7      15.6453      0.00000
      8      23.2387      0.00000

 k-point     4 :       0.0536    0.0000    0.0536
  band No.  band energies     occupation 
      1     -11.6406      2.00000
      2       9.3834      2.00000
      3       9.3834      2.00000
      4       9.5461      2.00000
      5      15.3211      0.00000
      6      15.9228      0.00000
      7      15.9228      0.00000
      8      23.2783      0.00000

 k-point     5 :       0.0714    0.0000    0.0714
  band No.  band energies     occupation 
      1     -11.5580      2.00000
      2       9.0988      2.00000
      3       9.0988      2.00000
      4       9.3416      2.00000
      5      15.2493      0.00000
      6      16.2762      0.00000
      7      16.2762      0.00000
      8      23.3101      0.00000

 k-point     6 :       0.0893    0.0000    0.0893
  band No.  band energies     occupation 
      1     -11.4518      2.00000
      2       8.7754      2.00000
      3       8.7754      2.00000
      4       9.0948      2.00000
      5      15.1718      0.00000
      6      16.6920      0.00000
      7      16.6920      0.00000
      8      23.3240      0.00000

 k-point     7 :       0.1071    0.0000    0.1071
  band No.  band energies     occupation 
      1     -11.3223      2.00000
      2       8.4275      2.00000
      3       8.4275      2.00000
      4       8.7994      2.00000
      5      15.0913      0.00000
      6      17.1570      0.00000
      7      17.1570      0.00000
      8      23.2896      0.00000

 k-point     8 :       0.1250    0.0000    0.1250
  band No.  band energies     occupation 
      1     -11.1693      2.00000
      2       8.0632      2.00000
      3       8.0632      2.00000
      4       8.4646      2.00000
      5      14.9888      0.00000
      6      17.6408      0.00000
      7      17.6408      0.00000
      8      23.1817      0.00000

 k-point     9 :       0.1429    0.0000    0.1429
  band No.  band energies     occupation 
      1     -10.9931      2.00000
      2       7.6970      2.00000
      3       7.6970      2.00000
      4       8.0936      2.00000
      5      14.8823      0.00000
      6      18.1564      0.00000
      7      18.1564      0.00000
      8      22.9816      0.00000

 k-point    10 :       0.1607    0.0000    0.1607
  band No.  band energies     occupation 
      1     -10.7939      2.00000
      2       7.3274      2.00000
      3       7.3274      2.00000
      4       7.6832      2.00000
      5      14.7715      0.00000
      6      18.6864      0.00000
      7      18.6864      0.00000
      8      22.6650      0.00000

 k-point    11 :       0.1786    0.0000    0.1786
  band No.  band energies     occupation 
      1     -10.5716      2.00000
      2       6.9683      2.00000
      3       6.9683      2.00000
      4       7.2483      2.00000
      5      14.6594      0.00000
      6      19.2305      0.00000
      7      19.2305      0.00000
      8      22.2565      0.00000

 k-point    12 :       0.1964    0.0000    0.1964
  band No.  band energies     occupation 
      1     -10.3264      2.00000
      2       6.6185      2.00000
      3       6.6185      2.00000
      4       6.7860      2.00000
      5      14.5483      0.00000
      6      19.7823      0.00000
      7      19.7823      0.00000
      8      21.7667      0.00000

 k-point    13 :       0.2143    0.0000    0.2143
  band No.  band energies     occupation 
      1     -10.0587      2.00000
      2       6.2807      2.00000
      3       6.2807      2.00000
      4       6.2990      2.00000
      5      14.4405      0.00000
      6      20.3384      0.00000
      7      20.3384      0.00000
      8      21.2216      0.00000

 k-point    14 :       0.2321    0.0000    0.2321
  band No.  band energies     occupation 
      1      -9.7685      2.00000
      2       5.7897      2.00000
      3       5.9570      2.00000
      4       5.9570      2.00000
      5      14.3382      0.00000
      6      20.6464      0.00000
      7      20.8956      0.00000
      8      20.8956      0.00000

 k-point    15 :       0.2500    0.0000    0.2500
  band No.  band energies     occupation 
      1      -9.4562      2.00000
      2       5.2605      2.00000
      3       5.6491      2.00000
      4       5.6491      2.00000
      5      14.2433      0.00000
      6      20.0615      0.00000
      7      21.4512      0.00000
      8      21.4512      0.00000

 k-point    16 :       0.2679    0.0000    0.2679
  band No.  band energies     occupation 
      1      -9.1219      2.00000
      2       4.7135      2.00000
      3       5.3584      2.00000
      4       5.3584      2.00000
      5      14.1578      0.00000
      6      19.4819      0.00000
      7      22.0024      0.00000
      8      22.0024      0.00000

 k-point    17 :       0.2857    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.7662      2.00000
      2       4.1510      2.00000
      3       5.0857      2.00000
      4       5.0857      2.00000
      5      14.0801      0.00000
      6      18.9185      0.00000
      7      22.5449      0.00000
      8      22.5449      0.00000

 k-point    18 :       0.3036    0.0000    0.3036
  band No.  band energies     occupation 
      1      -8.3893      2.00000
      2       3.5751      2.00000
      3       4.8324      2.00000
      4       4.8324      2.00000
      5      14.0184      0.00000
      6      18.3787      0.00000
      7      23.0779      0.00000
      8      23.0779      0.00000

 k-point    19 :       0.3214    0.0000    0.3214
  band No.  band energies     occupation 
      1      -7.9916      2.00000
      2       2.9896      2.00000
      3       4.5991      2.00000
      4       4.5991      2.00000
      5      13.9746      0.00000
      6      17.8675      0.00000
      7      23.5987      0.00000
      8      23.5987      0.00000

 k-point    20 :       0.3393    0.0000    0.3393
  band No.  band energies     occupation 
      1      -7.5736      2.00000
      2       2.3931      2.00000
      3       4.3863      2.00000
      4       4.3863      2.00000
      5      13.9419      0.00000
      6      17.3875      0.00000
      7      24.0991      0.00000
      8      24.0991      0.00000

 k-point    21 :       0.3571    0.0000    0.3571
  band No.  band energies     occupation 
      1      -7.1358      2.00000
      2       1.7901      2.00000
      3       4.1927      2.00000
      4       4.1927      2.00000
      5      13.9257      0.00000
      6      16.9407      0.00000
      7      24.5681      0.00000
      8      24.5681      0.00000

 k-point    22 :       0.3750    0.0000    0.3750
  band No.  band energies     occupation 
      1      -6.6789      2.00000
      2       1.1828      2.00000
      3       4.0228      2.00000
      4       4.0228      2.00000
      5      13.9280      0.00000
      6      16.5279      0.00000
      7      25.0156      0.00000
      8      25.0156      0.00000

 k-point    23 :       0.3929    0.0000    0.3929
  band No.  band energies     occupation 
      1      -6.2035      2.00000
      2       0.5734      2.00000
      3       3.8748      2.00000
      4       3.8748      2.00000
      5      13.9498      0.00000
      6      16.1494      0.00000
      7      25.4276      0.00000
      8      25.4277      0.00000

 k-point    24 :       0.4107    0.0000    0.4107
  band No.  band energies     occupation 
      1      -5.7103      2.00000
      2      -0.0358      2.00000
      3       3.7491      2.00000
      4       3.7491      2.00000
      5      13.9921      0.00000
      6      15.8046      0.00000
      7      25.7968      0.00000
      8      25.7968      0.00000

 k-point    25 :       0.4286    0.0000    0.4286
  band No.  band energies     occupation 
      1      -5.2001      2.00000
      2      -0.6427      2.00000
      3       3.6460      2.00000
      4       3.6460      2.00000
      5      14.0561      0.00000
      6      15.4929      0.00000
      7      26.1150      0.00000
      8      26.1150      0.00000

 k-point    26 :       0.4464    0.0000    0.4464
  band No.  band energies     occupation 
      1      -4.6739      2.00000
      2      -1.2454      2.00000
      3       3.5656      2.00000
      4       3.5656      2.00000
      5      14.1429      0.00000
      6      15.2135      0.00000
      7      26.3740      0.00000
      8      26.3740      0.00000

 k-point    27 :       0.4643    0.0000    0.4643
  band No.  band energies     occupation 
      1      -4.1327      2.00000
      2      -1.8428      2.00000
      3       3.5079      2.00000
      4       3.5079      2.00000
      5      14.2538      0.00000
      6      14.9610      0.00000
      7      26.5627      0.00000
      8      26.5627      0.00000

 k-point    28 :       0.4821    0.0000    0.4821
  band No.  band energies     occupation 
      1      -3.5777      2.00000
      2      -2.4312      2.00000
      3       3.4734      2.00000
      4       3.4734      2.00000
      5      14.3898      0.00000
      6      14.7423      0.00000
      7      26.6805      0.00000
      8      26.6805      0.00000

 k-point    29 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0099      2.00000
      2      -3.0099      2.00000
      3       3.4631      2.00000
      4       3.4631      2.00000
      5      14.5528      0.00000
      6      14.5528      0.00000
      7      26.7204      0.00000
      8      26.7204      0.00000

 k-point    30 :       0.5000    0.0179    0.5179
  band No.  band energies     occupation 
      1      -3.0023      2.00000
      2      -3.0023      2.00000
      3       3.4363      2.00000
      4       3.4363      2.00000
      5      14.6020      0.00000
      6      14.6020      0.00000
      7      26.6853      0.00000
      8      26.6853      0.00000

 k-point    31 :       0.5000    0.0357    0.5357
  band No.  band energies     occupation 
      1      -2.9798      2.00000
      2      -2.9798      2.00000
      3       3.3565      2.00000
      4       3.3565      2.00000
      5      14.7473      0.00000
      6      14.7473      0.00000
      7      26.6028      0.00000
      8      26.6028      0.00000

 k-point    32 :       0.5000    0.0536    0.5536
  band No.  band energies     occupation 
      1      -2.9425      2.00000
      2      -2.9425      2.00000
      3       3.2330      2.00000
      4       3.2330      2.00000
      5      14.9852      0.00000
      6      14.9852      0.00000
      7      26.4946      0.00000
      8      26.4946      0.00000

 k-point    33 :       0.5000    0.0714    0.5714
  band No.  band energies     occupation 
      1      -2.8914      2.00000
      2      -2.8914      2.00000
      3       3.0693      2.00000
      4       3.0693      2.00000
      5      15.3064      0.00000
      6      15.3064      0.00000
      7      26.3212      0.00000
      8      26.3212      0.00000

 k-point    34 :       0.5000    0.0893    0.5893
  band No.  band energies     occupation 
      1      -2.8273      2.00000
      2      -2.8273      2.00000
      3       2.8768      2.00000
      4       2.8768      2.00000
      5      15.7034      0.00000
      6      15.7034      0.00000
      7      26.0957      0.00000
      8      26.0957      0.00000

 k-point    35 :       0.5000    0.1071    0.6071
  band No.  band energies     occupation 
      1      -2.7529      2.00000
      2      -2.7529      2.00000
      3       2.6647      2.00000
      4       2.6647      2.00000
      5      16.1632      0.00000
      6      16.1632      0.00000
      7      25.8034      0.00000
      8      25.8034      0.00000

 k-point    36 :       0.5000    0.1250    0.6250
  band No.  band energies     occupation 
      1      -2.6700      2.00000
      2      -2.6700      2.00000
      3       2.4432      2.00000
      4       2.4432      2.00000
      5      16.6775      0.00000
      6      16.6775      0.00000
      7      25.4473      0.00000
      8      25.4473      0.00000

 k-point    37 :       0.5000    0.1429    0.6429
  band No.  band energies     occupation 
      1      -2.5817      2.00000
      2      -2.5817      2.00000
      3       2.2218      2.00000
      4       2.2218      2.00000
      5      17.2358      0.00000
      6      17.2358      0.00000
      7      25.0217      0.00000
      8      25.0217      0.00000

 k-point    38 :       0.5000    0.1607    0.6607
  band No.  band energies     occupation 
      1      -2.4919      2.00000
      2      -2.4919      2.00000
      3       2.0110      2.00000
      4       2.0110      2.00000
      5      17.8289      0.00000
      6      17.8289      0.00000
      7      24.5445      0.00000
      8      24.5445      0.00000

 k-point    39 :       0.5000    0.1786    0.6786
  band No.  band energies     occupation 
      1      -2.4056      2.00000
      2      -2.4056      2.00000
      3       1.8199      2.00000
      4       1.8199      2.00000
      5      18.4454      0.00000
      6      18.4454      0.00000
      7      24.0190      0.00000
      8      24.0190      0.00000

 k-point    40 :       0.5000    0.1964    0.6964
  band No.  band energies     occupation 
      1      -2.3284      2.00000
      2      -2.3284      2.00000
      3       1.6583      2.00000
      4       1.6583      2.00000
      5      19.0727      0.00000
      6      19.0727      0.00000
      7      23.4677      0.00000
      8      23.4677      0.00000

 k-point    41 :       0.5000    0.2143    0.7143
  band No.  band energies     occupation 
      1      -2.2670      2.00000
      2      -2.2670      2.00000
      3       1.5343      2.00000
      4       1.5343      2.00000
      5      19.6803      0.00000
      6      19.6803      0.00000
      7      22.9043      0.00000
      8      22.9043      0.00000

 k-point    42 :       0.5000    0.2321    0.7321
  band No.  band energies     occupation 
      1      -2.2271      2.00000
      2      -2.2271      2.00000
      3       1.4548      2.00000
      4       1.4548      2.00000
      5      20.2000      0.00000
      6      20.2000      0.00000
      7      22.4055      0.00000
      8      22.4055      0.00000

 k-point    43 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2133      2.00000
      2      -2.2133      2.00000
      3       1.4281      2.00000
      4       1.4281      2.00000
      5      20.4433      0.00000
      6      20.4433      0.00000
      7      22.1702      0.00000
      8      22.1702      0.00000

 k-point    44 :       0.4875    0.2625    0.7500
  band No.  band energies     occupation 
      1      -2.4038      2.00000
      2      -2.0502      2.00000
      3       1.2452      2.00000
      4       1.6648      2.00000
      5      20.0362      0.00000
      6      20.5774      0.00000
      7      22.2874      0.00000
      8      22.3330      0.00000

 k-point    45 :       0.4750    0.2750    0.7500
  band No.  band energies     occupation 
      1      -2.5745      2.00000
      2      -1.9542      2.00000
      3       1.0789      2.00000
      4       1.9832      2.00000
      5      19.3752      0.00000
      6      20.6512      0.00000
      7      22.4794      0.00000
      8      22.7569      0.00000

 k-point    46 :       0.4625    0.2875    0.7500
  band No.  band energies     occupation 
      1      -2.7252      2.00000
      2      -1.9092      2.00000
      3       0.9301      2.00000
      4       2.3576      2.00000
      5      18.6525      0.00000
      6      20.6775      0.00000
      7      22.7282      0.00000
      8      23.2503      0.00000

 k-point    47 :       0.4500    0.3000    0.7500
  band No.  band energies     occupation 
      1      -2.8559      2.00000
      2      -1.8981      2.00000
      3       0.7996      2.00000
      4       2.7627      2.00000
      5      17.9410      0.00000
      6      20.6740      0.00000
      7      23.0113      0.00000
      8      23.7490      0.00000

 k-point    48 :       0.4375    0.3125    0.7500
  band No.  band energies     occupation 
      1      -2.9667      2.00000
      2      -1.9067      2.00000
      3       0.6879      2.00000
      4       3.1724      2.00000
      5      17.2745      0.00000
      6      20.6522      0.00000
      7      23.2998      0.00000
      8      24.2228      0.00000

 k-point    49 :       0.4250    0.3250    0.7500
  band No.  band energies     occupation 
      1      -3.0572      2.00000
      2      -1.9243      2.00000
      3       0.5970      2.00000
      4       3.5609      2.00000
      5      16.6791      0.00000
      6      20.6330      0.00000
      7      23.5860      0.00000
      8      24.6505      0.00000

 k-point    50 :       0.4125    0.3375    0.7500
  band No.  band energies     occupation 
      1      -3.1278      2.00000
      2      -1.9442      2.00000
      3       0.5248      2.00000
      4       3.9010      2.00000
      5      16.1771      0.00000
      6      20.6089      0.00000
      7      23.8462      0.00000
      8      24.9990      0.00000

 k-point    51 :       0.4000    0.3500    0.7500
  band No.  band energies     occupation 
      1      -3.1782      2.00000
      2      -1.9611      2.00000
      3       0.4732      2.00000
      4       4.1696      2.00000
      5      15.7957      0.00000
      6      20.5904      0.00000
      7      24.0567      0.00000
      8      25.2726      0.00000

 k-point    52 :       0.3875    0.3625    0.7500
  band No.  band energies     occupation 
      1      -3.2084      2.00000
      2      -1.9722      2.00000
      3       0.4427      2.00000
      4       4.3426      2.00000
      5      15.5558      0.00000
      6      20.5805      0.00000
      7      24.1838      0.00000
      8      25.4491      0.00000

 k-point    53 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point    54 :       0.3625    0.3625    0.7250
  band No.  band energies     occupation 
      1      -3.4644      2.00000
      2      -1.7602      2.00000
      3       0.3048      2.00000
      4       4.5906      2.00000
      5      15.6605      0.00000
      6      21.4716      0.00000
      7      23.8073      0.00000
      8      25.3158      0.00000

 k-point    55 :       0.3500    0.3500    0.7000
  band No.  band energies     occupation 
      1      -3.7852      2.00000
      2      -1.5244      2.00000
      3       0.2754      2.00000
      4       4.7934      2.00000
      5      15.8617      0.00000
      6      22.3352      0.00000
      7      23.3538      0.00000
      8      25.1367      0.00000

 k-point    56 :       0.3375    0.3375    0.6750
  band No.  band energies     occupation 
      1      -4.1644      2.00000
      2      -1.2685      2.00000
      3       0.3358      2.00000
      4       5.0090      2.00000
      5      16.0762      0.00000
      6      22.9080      0.00000
      7      23.1461      0.00000
      8      24.9405      0.00000

 k-point    57 :       0.3250    0.3250    0.6500
  band No.  band energies     occupation 
      1      -4.5837      2.00000
      2      -0.9929      2.00000
      3       0.4675      2.00000
      4       5.2365      2.00000
      5      16.3022      0.00000
      6      22.4579      0.00000
      7      23.7978      0.00000
      8      24.7470      0.00000

 k-point    58 :       0.3125    0.3125    0.6250
  band No.  band energies     occupation 
      1      -5.0268      2.00000
      2      -0.6972      2.00000
      3       0.6574      2.00000
      4       5.4748      2.00000
      5      16.5379      0.00000
      6      22.0074      0.00000
      7      24.1047      0.00000
      8      24.5706      0.00000

 k-point    59 :       0.3000    0.3000    0.6000
  band No.  band energies     occupation 
      1      -5.4812      2.00000
      2      -0.3827      2.00000
      3       0.8913      2.00000
      4       5.7219      2.00000
      5      16.7803      0.00000
      6      21.5582      0.00000
      7      23.9880      0.00000
      8      24.3875      0.00000

 k-point    60 :       0.2875    0.2875    0.5750
  band No.  band energies     occupation 
      1      -5.9378      2.00000
      2      -0.0489      2.00000
      3       1.1628      2.00000
      4       5.9764      2.00000
      5      17.0272      0.00000
      6      21.1263      0.00000
      7      23.6299      0.00000
      8      24.2145      0.00000

 k-point    61 :       0.2750    0.2750    0.5500
  band No.  band energies     occupation 
      1      -6.3904      2.00000
      2       0.3035      2.00000
      3       1.4658      2.00000
      4       6.2364      2.00000
      5      17.2731      0.00000
      6      20.6876      0.00000
      7      23.1794      0.00000
      8      24.0534      0.00000

 k-point    62 :       0.2625    0.2625    0.5250
  band No.  band energies     occupation 
      1      -6.8345      2.00000
      2       0.6743      2.00000
      3       1.7961      2.00000
      4       6.5001      2.00000
      5      17.5138      0.00000
      6      20.2584      0.00000
      7      22.6985      0.00000
      8      23.9075      0.00000

 k-point    63 :       0.2500    0.2500    0.5000
  band No.  band energies     occupation 
      1      -7.2667      2.00000
      2       1.0622      2.00000
      3       2.1495      2.00000
      4       6.7644      2.00000
      5      17.7400      0.00000
      6      19.8375      0.00000
      7      22.2062      0.00000
      8      23.7736      0.00000

 k-point    64 :       0.2375    0.2375    0.4750
  band No.  band energies     occupation 
      1      -7.6845      2.00000
      2       1.4685      2.00000
      3       2.5251      2.00000
      4       7.0289      2.00000
      5      17.9513      0.00000
      6      19.4325      0.00000
      7      21.7219      0.00000
      8      23.6681      0.00000

 k-point    65 :       0.2250    0.2250    0.4500
  band No.  band energies     occupation 
      1      -8.0860      2.00000
      2       1.8919      2.00000
      3       2.9200      2.00000
      4       7.2904      2.00000
      5      18.1369      0.00000
      6      19.0418      0.00000
      7      21.2463      0.00000
      8      23.5876      0.00000

 k-point    66 :       0.2125    0.2125    0.4250
  band No.  band energies     occupation 
      1      -8.4700      2.00000
      2       2.3317      2.00000
      3       3.3321      2.00000
      4       7.5469      2.00000
      5      18.2888      0.00000
      6      18.6668      0.00000
      7      20.7818      0.00000
      8      23.5346      0.00000

 k-point    67 :       0.2000    0.2000    0.4000
  band No.  band energies     occupation 
      1      -8.8352      2.00000
      2       2.7872      2.00000
      3       3.7599      2.00000
      4       7.7961      2.00000
      5      18.3102      0.00000
      6      18.3995      0.00000
      7      20.3307      0.00000
      8      23.5098      0.00000

 k-point    68 :       0.1875    0.1875    0.3750
  band No.  band energies     occupation 
      1      -9.1809      2.00000
      2       3.2586      2.00000
      3       4.2020      2.00000
      4       8.0411      2.00000
      5      17.9804      0.00000
      6      18.4673      0.00000
      7      19.8961      0.00000
      8      23.5143      0.00000

 k-point    69 :       0.1750    0.1750    0.3500
  band No.  band energies     occupation 
      1      -9.5064      2.00000
      2       3.7429      2.00000
      3       4.6538      2.00000
      4       8.2693      2.00000
      5      17.6580      0.00000
      6      18.4787      0.00000
      7      19.4696      0.00000
      8      23.5368      0.00000

 k-point    70 :       0.1625    0.1625    0.3250
  band No.  band energies     occupation 
      1      -9.8110      2.00000
      2       4.2399      2.00000
      3       5.1147      2.00000
      4       8.4843      2.00000
      5      17.3551      0.00000
      6      18.4366      0.00000
      7      19.0561      0.00000
      8      23.5720      0.00000

 k-point    71 :       0.1500    0.1500    0.3000
  band No.  band energies     occupation 
      1     -10.0944      2.00000
      2       4.7479      2.00000
      3       5.5820      2.00000
      4       8.6847      2.00000
      5      17.0724      0.00000
      6      18.3415      0.00000
      7      18.6554      0.00000
      8      23.6094      0.00000

 k-point    72 :       0.1375    0.1375    0.2750
  band No.  band energies     occupation 
      1     -10.3561      2.00000
      2       5.2651      2.00000
      3       6.0530      2.00000
      4       8.8691      2.00000
      5      16.8104      0.00000
      6      18.1958      0.00000
      7      18.2671      0.00000
      8      23.6380      0.00000

 k-point    73 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation 
      1     -10.5958      2.00000
      2       5.7890      2.00000
      3       6.5244      2.00000
      4       9.0369      2.00000
      5      16.5698      0.00000
      6      17.8912      0.00000
      7      18.0029      0.00000
      8      23.6489      0.00000

 k-point    74 :       0.1125    0.1125    0.2250
  band No.  band energies     occupation 
      1     -10.8134      2.00000
      2       6.3167      2.00000
      3       6.9922      2.00000
      4       9.1874      2.00000
      5      16.3509      0.00000
      6      17.5277      0.00000
      7      17.7670      0.00000
      8      23.6370      0.00000

 k-point    75 :       0.1000    0.1000    0.2000
  band No.  band energies     occupation 
      1     -11.0085      2.00000
      2       6.8436      2.00000
      3       7.4511      2.00000
      4       9.3204      2.00000
      5      16.1492      0.00000
      6      17.1737      0.00000
      7      17.4846      0.00000
      8      23.6020      0.00000

 k-point    76 :       0.0875    0.0875    0.1750
  band No.  band energies     occupation 
      1     -11.1810      2.00000
      2       7.3696      2.00000
      3       7.9008      2.00000
      4       9.4406      2.00000
      5      15.9747      0.00000
      6      16.8388      0.00000
      7      17.1811      0.00000
      8      23.5567      0.00000

 k-point    77 :       0.0750    0.0750    0.1500
  band No.  band energies     occupation 
      1     -11.3308      2.00000
      2       7.8805      2.00000
      3       8.3287      2.00000
      4       9.5419      2.00000
      5      15.8269      0.00000
      6      16.5250      0.00000
      7      16.8604      0.00000
      8      23.4914      0.00000

 k-point    78 :       0.0625    0.0625    0.1250
  band No.  band energies     occupation 
      1     -11.4578      2.00000
      2       8.3698      2.00000
      3       8.7243      2.00000
      4       9.6238      2.00000
      5      15.6980      0.00000
      6      16.2281      0.00000
      7      16.5226      0.00000
      8      23.4202      0.00000

 k-point    79 :       0.0500    0.0500    0.1000
  band No.  band energies     occupation 
      1     -11.5617      2.00000
      2       8.8197      2.00000
      3       9.0786      2.00000
      4       9.6918      2.00000
      5      15.5943      0.00000
      6      15.9601      0.00000
      7      16.1941      0.00000
      8      23.3504      0.00000

 k-point    80 :       0.0375    0.0375    0.0750
  band No.  band energies     occupation 
      1     -11.6427      2.00000
      2       9.2168      2.00000
      3       9.3791      2.00000
      4       9.7428      2.00000
      5      15.5121      0.00000
      6      15.7371      0.00000
      7      15.8885      0.00000
      8      23.2894      0.00000

 k-point    81 :       0.0250    0.0250    0.0500
  band No.  band energies     occupation 
      1     -11.7006      2.00000
      2       9.5302      2.00000
      3       9.6099      2.00000
      4       9.7784      2.00000
      5      15.4530      0.00000
      6      15.5589      0.00000
      7      15.6352      0.00000
      8      23.2404      0.00000

 k-point    82 :       0.0125    0.0125    0.0250
  band No.  band energies     occupation 
      1     -11.7353      2.00000
      2       9.7350      2.00000
      3       9.7563      2.00000
      4       9.7996      2.00000
      5      15.4175      0.00000
      6      15.4450      0.00000
      7      15.4657      0.00000
      8      23.2097      0.00000

 k-point    83 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7469      2.00000
      2       9.8066      2.00000
      3       9.8066      2.00000
      4       9.8066      2.00000
      5      15.4057      0.00000
      6      15.4057      0.00000
      7      15.4057      0.00000
      8      23.1993      0.00000

 k-point    84 :       0.0208    0.0208    0.0208
  band No.  band energies     occupation 
      1     -11.7348      2.00000
      2       9.7170      2.00000
      3       9.7843      2.00000
      4       9.7843      2.00000
      5      15.4349      0.00000
      6      15.4349      0.00000
      7      15.4629      0.00000
      8      23.2102      0.00000

 k-point    85 :       0.0417    0.0417    0.0417
  band No.  band energies     occupation 
      1     -11.6986      2.00000
      2       9.4607      2.00000
      3       9.7191      2.00000
      4       9.7191      2.00000
      5      15.5203      0.00000
      6      15.5203      0.00000
      7      15.6226      0.00000
      8      23.2430      0.00000

 k-point    86 :       0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1     -11.6384      2.00000
      2       9.0674      2.00000
      3       9.6160      2.00000
      4       9.6160      2.00000
      5      15.6561      0.00000
      6      15.6561      0.00000
      7      15.8557      0.00000
      8      23.2975      0.00000

 k-point    87 :       0.0833    0.0833    0.0833
  band No.  band energies     occupation 
      1     -11.5540      2.00000
      2       8.5697      2.00000
      3       9.4797      2.00000
      4       9.4797      2.00000
      5      15.8328      0.00000
      6      15.8328      0.00000
      7      16.1172      0.00000
      8      23.3691      0.00000

 k-point    88 :       0.1042    0.1042    0.1042
  band No.  band energies     occupation 
      1     -11.4458      2.00000
      2       7.9931      2.00000
      3       9.3207      2.00000
      4       9.3207      2.00000
      5      16.0378      0.00000
      6      16.0378      0.00000
      7      16.4050      0.00000
      8      23.4609      0.00000

 k-point    89 :       0.1250    0.1250    0.1250
  band No.  band energies     occupation 
      1     -11.3136      2.00000
      2       7.3643      2.00000
      3       9.1461      2.00000
      4       9.1461      2.00000
      5      16.2705      0.00000
      6      16.2705      0.00000
      7      16.6977      0.00000
      8      23.5680      0.00000

 k-point    90 :       0.1458    0.1458    0.1458
  band No.  band energies     occupation 
      1     -11.1576      2.00000
      2       6.7034      2.00000
      3       8.9619      2.00000
      4       8.9619      2.00000
      5      16.5127      0.00000
      6      16.5127      0.00000
      7      16.9683      0.00000
      8      23.6975      0.00000

 k-point    91 :       0.1667    0.1667    0.1667
  band No.  band energies     occupation 
      1     -10.9780      2.00000
      2       6.0174      2.00000
      3       8.7730      2.00000
      4       8.7730      2.00000
      5      16.7579      0.00000
      6      16.7579      0.00000
      7      17.2177      0.00000
      8      23.8425      0.00000

 k-point    92 :       0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1     -10.7749      2.00000
      2       5.3151      2.00000
      3       8.5840      2.00000
      4       8.5840      2.00000
      5      16.9977      0.00000
      6      16.9977      0.00000
      7      17.4428      0.00000
      8      24.0002      0.00000

 k-point    93 :       0.2083    0.2083    0.2083
  band No.  band energies     occupation 
      1     -10.5485      2.00000
      2       4.6023      2.00000
      3       8.3925      2.00000
      4       8.3925      2.00000
      5      17.2234      0.00000
      6      17.2234      0.00000
      7      17.6410      0.00000
      8      24.1554      0.00000

 k-point    94 :       0.2292    0.2292    0.2292
  band No.  band energies     occupation 
      1     -10.2991      2.00000
      2       3.8870      2.00000
      3       8.2125      2.00000
      4       8.2125      2.00000
      5      17.4323      0.00000
      6      17.4323      0.00000
      7      17.8169      0.00000
      8      24.3259      0.00000

 k-point    95 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -10.0271      2.00000
      2       3.1721      2.00000
      3       8.0395      2.00000
      4       8.0395      2.00000
      5      17.6061      0.00000
      6      17.6061      0.00000
      7      17.9701      0.00000
      8      24.4948      0.00000

 k-point    96 :       0.2708    0.2708    0.2708
  band No.  band energies     occupation 
      1      -9.7327      2.00000
      2       2.4615      2.00000
      3       7.8776      2.00000
      4       7.8776      2.00000
      5      17.7667      0.00000
      6      17.7667      0.00000
      7      18.1027      0.00000
      8      24.6629      0.00000

 k-point    97 :       0.2917    0.2917    0.2917
  band No.  band energies     occupation 
      1      -9.4167      2.00000
      2       1.7584      2.00000
      3       7.7269      2.00000
      4       7.7269      2.00000
      5      17.9009      0.00000
      6      17.9009      0.00000
      7      18.2169      0.00000
      8      24.8232      0.00000

 k-point    98 :       0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1      -9.0796      2.00000
      2       1.0658      2.00000
      3       7.5885      2.00000
      4       7.5885      2.00000
      5      18.0093      0.00000
      6      18.0093      0.00000
      7      18.3147      0.00000
      8      24.9715      0.00000

 k-point    99 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.7226      2.00000
      2       0.3864      2.00000
      3       7.4630      2.00000
      4       7.4630      2.00000
      5      18.0936      0.00000
      6      18.0936      0.00000
      7      18.3979      0.00000
      8      25.1043      0.00000

 k-point   100 :       0.3542    0.3542    0.3542
  band No.  band energies     occupation 
      1      -8.3470      2.00000
      2      -0.2764      2.00000
      3       7.3513      2.00000
      4       7.3513      2.00000
      5      18.1566      0.00000
      6      18.1566      0.00000
      7      18.4682      0.00000
      8      25.2212      0.00000

 k-point   101 :       0.3750    0.3750    0.3750
  band No.  band energies     occupation 
      1      -7.9551      2.00000
      2      -0.9198      2.00000
      3       7.2537      2.00000
      4       7.2537      2.00000
      5      18.2016      0.00000
      6      18.2016      0.00000
      7      18.5269      0.00000
      8      25.3169      0.00000

 k-point   102 :       0.3958    0.3958    0.3958
  band No.  band energies     occupation 
      1      -7.5504      2.00000
      2      -1.5389      2.00000
      3       7.1707      2.00000
      4       7.1707      2.00000
      5      18.2323      0.00000
      6      18.2323      0.00000
      7      18.5751      0.00000
      8      25.3936      0.00000

 k-point   103 :       0.4167    0.4167    0.4167
  band No.  band energies     occupation 
      1      -7.1394      2.00000
      2      -2.1265      2.00000
      3       7.1025      2.00000
      4       7.1025      2.00000
      5      18.2522      0.00000
      6      18.2522      0.00000
      7      18.6137      0.00000
      8      25.4525      0.00000

 k-point   104 :       0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1      -6.7340      2.00000
      2      -2.6703      2.00000
      3       7.0487      2.00000
      4       7.0487      2.00000
      5      18.2587      0.00000
      6      18.2587      0.00000
      7      18.6428      0.00000
      8      25.4930      0.00000

 k-point   105 :       0.4583    0.4583    0.4583
  band No.  band energies     occupation 
      1      -6.3590      2.00000
      2      -3.1451      2.00000
      3       7.0114      2.00000
      4       7.0114      2.00000
      5      18.2650      0.00000
      6      18.2650      0.00000
      7      18.6642      0.00000
      8      25.5306      0.00000

 k-point   106 :       0.4792    0.4792    0.4792
  band No.  band energies     occupation 
      1      -6.0676      2.00000
      2      -3.4959      2.00000
      3       6.9884      2.00000
      4       6.9884      2.00000
      5      18.2680      0.00000
      6      18.2680      0.00000
      7      18.6761      0.00000
      8      25.5466      0.00000

 k-point   107 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9507      2.00000
      2      -3.6327      2.00000
      3       6.9807      2.00000
      4       6.9807      2.00000
      5      18.2689      0.00000
      6      18.2689      0.00000
      7      18.6801      0.00000
      8      25.5518      0.00000

 k-point   108 :       0.5074    0.4853    0.5074
  band No.  band energies     occupation 
      1      -5.9401      2.00000
      2      -3.6216      2.00000
      3       6.9248      2.00000
      4       6.9599      2.00000
      5      18.2544      0.00000
      6      18.3089      0.00000
      7      18.7214      0.00000
      8      25.5533      0.00000

 k-point   109 :       0.5147    0.4706    0.5147
  band No.  band energies     occupation 
      1      -5.9082      2.00000
      2      -3.5884      2.00000
      3       6.7606      2.00000
      4       6.8987      2.00000
      5      18.1970      0.00000
      6      18.4272      0.00000
      7      18.8580      0.00000
      8      25.5547      0.00000

 k-point   110 :       0.5221    0.4559    0.5221
  band No.  band energies     occupation 
      1      -5.8551      2.00000
      2      -3.5331      2.00000
      3       6.4951      2.00000
      4       6.8002      2.00000
      5      18.0962      0.00000
      6      18.6242      0.00000
      7      19.0962      0.00000
      8      25.5521      0.00000

 k-point   111 :       0.5294    0.4412    0.5294
  band No.  band energies     occupation 
      1      -5.7809      2.00000
      2      -3.4561      2.00000
      3       6.1445      2.00000
      4       6.6675      2.00000
      5      17.9423      0.00000
      6      18.8854      0.00000
      7      19.4230      0.00000
      8      25.5274      0.00000

 k-point   112 :       0.5368    0.4265    0.5368
  band No.  band energies     occupation 
      1      -5.6856      2.00000
      2      -3.3578      2.00000
      3       5.7238      2.00000
      4       6.5102      2.00000
      5      17.7543      0.00000
      6      19.2079      0.00000
      7      19.8233      0.00000
      8      25.4655      0.00000

 k-point   113 :       0.5441    0.4118    0.5441
  band No.  band energies     occupation 
      1      -5.5694      2.00000
      2      -3.2392      2.00000
      3       5.2475      2.00000
      4       6.3324      2.00000
      5      17.5427      0.00000
      6      19.5813      0.00000
      7      20.2802      0.00000
      8      25.3609      0.00000

 k-point   114 :       0.5515    0.3971    0.5515
  band No.  band energies     occupation 
      1      -5.4324      2.00000
      2      -3.1010      2.00000
      3       4.7286      2.00000
      4       6.1405      2.00000
      5      17.3183      0.00000
      6      19.9975      0.00000
      7      20.7813      0.00000
      8      25.1966      0.00000

 k-point   115 :       0.5588    0.3824    0.5588
  band No.  band energies     occupation 
      1      -5.2749      2.00000
      2      -2.9442      2.00000
      3       4.1794      2.00000
      4       5.9401      2.00000
      5      17.0872      0.00000
      6      20.4461      0.00000
      7      21.3131      0.00000
      8      24.9601      0.00000

 k-point   116 :       0.5662    0.3676    0.5662
  band No.  band energies     occupation 
      1      -5.0972      2.00000
      2      -2.7712      2.00000
      3       3.6123      2.00000
      4       5.7364      2.00000
      5      16.8596      0.00000
      6      20.9183      0.00000
      7      21.8710      0.00000
      8      24.6558      0.00000

 k-point   117 :       0.5735    0.3529    0.5735
  band No.  band energies     occupation 
      1      -4.8999      2.00000
      2      -2.5846      2.00000
      3       3.0349      2.00000
      4       5.5305      2.00000
      5      16.6369      0.00000
      6      21.3980      0.00000
      7      22.4303      0.00000
      8      24.2751      0.00000

 k-point   118 :       0.5809    0.3382    0.5809
  band No.  band energies     occupation 
      1      -4.6835      2.00000
      2      -2.3890      2.00000
      3       2.4596      2.00000
      4       5.3330      2.00000
      5      16.4236      0.00000
      6      21.8775      0.00000
      7      22.9721      0.00000
      8      23.8585      0.00000

 k-point   119 :       0.5882    0.3235    0.5882
  band No.  band energies     occupation 
      1      -4.4490      2.00000
      2      -2.1921      2.00000
      3       1.9003      2.00000
      4       5.1436      2.00000
      5      16.2240      0.00000
      6      22.3531      0.00000
      7      23.1759      0.00000
      8      23.7248      0.00000

 k-point   120 :       0.5956    0.3088    0.5956
  band No.  band energies     occupation 
      1      -4.1984      2.00000
      2      -2.0077      2.00000
      3       1.3744      2.00000
      4       4.9651      2.00000
      5      16.0391      0.00000
      6      22.7306      0.00000
      7      22.8078      0.00000
      8      24.1732      0.00000

 k-point   121 :       0.6029    0.2941    0.6029
  band No.  band energies     occupation 
      1      -3.9349      2.00000
      2      -1.8604      2.00000
      3       0.9163      2.00000
      4       4.8006      2.00000
      5      15.8714      0.00000
      6      22.2034      0.00000
      7      23.2378      0.00000
      8      24.6506      0.00000

 k-point   122 :       0.6103    0.2794    0.6103
  band No.  band energies     occupation 
      1      -3.6658      2.00000
      2      -1.7933      2.00000
      3       0.5745      2.00000
      4       4.6505      2.00000
      5      15.7211      0.00000
      6      21.6551      0.00000
      7      23.6196      0.00000
      8      25.0543      0.00000

 k-point   123 :       0.6176    0.2647    0.6176
  band No.  band energies     occupation 
      1      -3.4092      2.00000
      2      -1.8450      2.00000
      3       0.4089      2.00000
      4       4.5180      2.00000
      5      15.5880      0.00000
      6      21.1124      0.00000
      7      23.9573      0.00000
      8      25.3371      0.00000

 k-point   124 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   125 :       0.6125    0.2500    0.6375
  band No.  band energies     occupation 
      1      -3.2084      2.00000
      2      -1.9722      2.00000
      3       0.4427      2.00000
      4       4.3426      2.00000
      5      15.5558      0.00000
      6      20.5805      0.00000
      7      24.1838      0.00000
      8      25.4491      0.00000

 k-point   126 :       0.6000    0.2500    0.6500
  band No.  band energies     occupation 
      1      -3.1782      2.00000
      2      -1.9611      2.00000
      3       0.4732      2.00000
      4       4.1696      2.00000
      5      15.7957      0.00000
      6      20.5904      0.00000
      7      24.0567      0.00000
      8      25.2726      0.00000

 k-point   127 :       0.5875    0.2500    0.6625
  band No.  band energies     occupation 
      1      -3.1278      2.00000
      2      -1.9442      2.00000
      3       0.5248      2.00000
      4       3.9010      2.00000
      5      16.1771      0.00000
      6      20.6089      0.00000
      7      23.8462      0.00000
      8      24.9990      0.00000

 k-point   128 :       0.5750    0.2500    0.6750
  band No.  band energies     occupation 
      1      -3.0572      2.00000
      2      -1.9243      2.00000
      3       0.5970      2.00000
      4       3.5609      2.00000
      5      16.6791      0.00000
      6      20.6330      0.00000
      7      23.5860      0.00000
      8      24.6505      0.00000

 k-point   129 :       0.5625    0.2500    0.6875
  band No.  band energies     occupation 
      1      -2.9667      2.00000
      2      -1.9067      2.00000
      3       0.6879      2.00000
      4       3.1724      2.00000
      5      17.2745      0.00000
      6      20.6522      0.00000
      7      23.2998      0.00000
      8      24.2228      0.00000

 k-point   130 :       0.5500    0.2500    0.7000
  band No.  band energies     occupation 
      1      -2.8559      2.00000
      2      -1.8981      2.00000
      3       0.7996      2.00000
      4       2.7627      2.00000
      5      17.9410      0.00000
      6      20.6740      0.00000
      7      23.0113      0.00000
      8      23.7490      0.00000

 k-point   131 :       0.5375    0.2500    0.7125
  band No.  band energies     occupation 
      1      -2.7252      2.00000
      2      -1.9092      2.00000
      3       0.9301      2.00000
      4       2.3576      2.00000
      5      18.6525      0.00000
      6      20.6775      0.00000
      7      22.7282      0.00000
      8      23.2503      0.00000

 k-point   132 :       0.5250    0.2500    0.7250
  band No.  band energies     occupation 
      1      -2.5745      2.00000
      2      -1.9542      2.00000
      3       1.0789      2.00000
      4       1.9832      2.00000
      5      19.3752      0.00000
      6      20.6512      0.00000
      7      22.4794      0.00000
      8      22.7569      0.00000

 k-point   133 :       0.5125    0.2500    0.7375
  band No.  band energies     occupation 
      1      -2.4038      2.00000
      2      -2.0502      2.00000
      3       1.2452      2.00000
      4       1.6648      2.00000
      5      20.0362      0.00000
      6      20.5774      0.00000
      7      22.2874      0.00000
      8      22.3330      0.00000

 k-point   134 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2133      2.00000
      2      -2.2133      2.00000
      3       1.4281      2.00000
      4       1.4281      2.00000
      5      20.4433      0.00000
      6      20.4433      0.00000
      7      22.1702      0.00000
      8      22.1702      0.00000

 k-point   135 :       0.5000    0.2625    0.7375
  band No.  band energies     occupation 
      1      -2.5080      2.00000
      2      -1.9487      2.00000
      3       1.1915      2.00000
      4       1.7234      2.00000
      5      20.1747      0.00000
      6      20.6171      0.00000
      7      22.1309      0.00000
      8      22.3309      0.00000

 k-point   136 :       0.5000    0.2750    0.7250
  band No.  band energies     occupation 
      1      -2.8148      2.00000
      2      -1.7416      2.00000
      3       1.0426      2.00000
      4       2.0587      2.00000
      5      19.8717      0.00000
      6      20.6456      0.00000
      7      22.2615      0.00000
      8      22.5579      0.00000

 k-point   137 :       0.5000    0.2875    0.7125
  band No.  band energies     occupation 
      1      -3.1222      2.00000
      2      -1.6238      2.00000
      3       1.0128      2.00000
      4       2.4190      2.00000
      5      19.5635      0.00000
      6      20.5479      0.00000
      7      22.5296      0.00000
      8      22.8187      0.00000

 k-point   138 :       0.5000    0.3000    0.7000
  band No.  band energies     occupation 
      1      -3.4236      2.00000
      2      -1.6129      2.00000
      3       1.1207      2.00000
      4       2.7962      2.00000
      5      19.2689      0.00000
      6      20.3848      0.00000
      7      22.8639      0.00000
      8      23.0975      0.00000

 k-point   139 :       0.5000    0.3125    0.6875
  band No.  band energies     occupation 
      1      -3.7145      2.00000
      2      -1.6971      2.00000
      3       1.3538      2.00000
      4       3.1832      2.00000
      5      18.9957      0.00000
      6      20.1957      0.00000
      7      23.2017      0.00000
      8      23.3786      0.00000

 k-point   140 :       0.5000    0.3250    0.6750
  band No.  band energies     occupation 
      1      -3.9920      2.00000
      2      -1.8451      2.00000
      3       1.6820      2.00000
      4       3.5745      2.00000
      5      18.7513      0.00000
      6      19.9997      0.00000
      7      23.4857      0.00000
      8      23.6677      0.00000

 k-point   141 :       0.5000    0.3375    0.6625
  band No.  band energies     occupation 
      1      -4.2541      2.00000
      2      -2.0279      2.00000
      3       2.0761      2.00000
      4       3.9653      2.00000
      5      18.5396      0.00000
      6      19.8084      0.00000
      7      23.6540      0.00000
      8      23.9563      0.00000

 k-point   142 :       0.5000    0.3500    0.6500
  band No.  band energies     occupation 
      1      -4.4996      2.00000
      2      -2.2253      2.00000
      3       2.5113      2.00000
      4       4.3494      2.00000
      5      18.3610      0.00000
      6      19.6219      0.00000
      7      23.6180      0.00000
      8      24.2333      0.00000

 k-point   143 :       0.5000    0.3625    0.6375
  band No.  band energies     occupation 
      1      -4.7276      2.00000
      2      -2.4244      2.00000
      3       2.9747      2.00000
      4       4.7249      2.00000
      5      18.2198      0.00000
      6      19.4461      0.00000
      7      23.3600      0.00000
      8      24.4962      0.00000

 k-point   144 :       0.5000    0.3750    0.6250
  band No.  band energies     occupation 
      1      -4.9371      2.00000
      2      -2.6175      2.00000
      3       3.4552      2.00000
      4       5.0824      2.00000
      5      18.1149      0.00000
      6      19.2832      0.00000
      7      22.9267      0.00000
      8      24.7414      0.00000

 k-point   145 :       0.5000    0.3875    0.6125
  band No.  band energies     occupation 
      1      -5.1279      2.00000
      2      -2.7996      2.00000
      3       3.9416      2.00000
      4       5.4186      2.00000
      5      18.0433      0.00000
      6      19.1314      0.00000
      7      22.3734      0.00000
      8      24.9501      0.00000

 k-point   146 :       0.5000    0.4000    0.6000
  band No.  band energies     occupation 
      1      -5.2995      2.00000
      2      -2.9684      2.00000
      3       4.4303      2.00000
      4       5.7306      2.00000
      5      18.0062      0.00000
      6      18.9911      0.00000
      7      21.7690      0.00000
      8      25.1327      0.00000

 k-point   147 :       0.5000    0.4125    0.5875
  band No.  band energies     occupation 
      1      -5.4513      2.00000
      2      -3.1198      2.00000
      3       4.9107      2.00000
      4       6.0139      2.00000
      5      18.0060      0.00000
      6      18.8673      0.00000
      7      21.1580      0.00000
      8      25.2882      0.00000

 k-point   148 :       0.5000    0.4250    0.5750
  band No.  band energies     occupation 
      1      -5.5833      2.00000
      2      -3.2533      2.00000
      3       5.3722      2.00000
      4       6.2648      2.00000
      5      18.0299      0.00000
      6      18.7572      0.00000
      7      20.5632      0.00000
      8      25.4026      0.00000

 k-point   149 :       0.5000    0.4375    0.5625
  band No.  band energies     occupation 
      1      -5.6953      2.00000
      2      -3.3677      2.00000
      3       5.8038      2.00000
      4       6.4811      2.00000
      5      18.0748      0.00000
      6      18.6607      0.00000
      7      20.0118      0.00000
      8      25.4886      0.00000

 k-point   150 :       0.5000    0.4500    0.5500
  band No.  band energies     occupation 
      1      -5.7871      2.00000
      2      -3.4625      2.00000
      3       6.1900      2.00000
      4       6.6581      2.00000
      5      18.1260      0.00000
      6      18.5622      0.00000
      7      19.5210      0.00000
      8      25.5310      0.00000

 k-point   151 :       0.5000    0.4625    0.5375
  band No.  band energies     occupation 
      1      -5.8586      2.00000
      2      -3.5368      2.00000
      3       6.5177      2.00000
      4       6.7998      2.00000
      5      18.1804      0.00000
      6      18.4780      0.00000
      7      19.1301      0.00000
      8      25.5517      0.00000

 k-point   152 :       0.5000    0.4750    0.5250
  band No.  band energies     occupation 
      1      -5.9097      2.00000
      2      -3.5900      2.00000
      3       6.7698      2.00000
      4       6.9003      2.00000
      5      18.2234      0.00000
      6      18.3890      0.00000
      7      18.8602      0.00000
      8      25.5548      0.00000

 k-point   153 :       0.5000    0.4875    0.5125
  band No.  band energies     occupation 
      1      -5.9404      2.00000
      2      -3.6220      2.00000
      3       6.9270      2.00000
      4       6.9606      2.00000
      5      18.2570      0.00000
      6      18.3052      0.00000
      7      18.7201      0.00000
      8      25.5532      0.00000

 k-point   154 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9507      2.00000
      2      -3.6327      2.00000
      3       6.9807      2.00000
      4       6.9807      2.00000
      5      18.2689      0.00000
      6      18.2689      0.00000
      7      18.6801      0.00000
      8      25.5518      0.00000

 k-point   155 :       0.4926    0.4926    0.5147
  band No.  band energies     occupation 
      1      -5.9401      2.00000
      2      -3.6216      2.00000
      3       6.9248      2.00000
      4       6.9599      2.00000
      5      18.2544      0.00000
      6      18.3089      0.00000
      7      18.7214      0.00000
      8      25.5533      0.00000

 k-point   156 :       0.4853    0.4853    0.5294
  band No.  band energies     occupation 
      1      -5.9082      2.00000
      2      -3.5884      2.00000
      3       6.7606      2.00000
      4       6.8987      2.00000
      5      18.1970      0.00000
      6      18.4272      0.00000
      7      18.8580      0.00000
      8      25.5547      0.00000

 k-point   157 :       0.4779    0.4779    0.5441
  band No.  band energies     occupation 
      1      -5.8551      2.00000
      2      -3.5331      2.00000
      3       6.4951      2.00000
      4       6.8002      2.00000
      5      18.0962      0.00000
      6      18.6242      0.00000
      7      19.0962      0.00000
      8      25.5521      0.00000

 k-point   158 :       0.4706    0.4706    0.5588
  band No.  band energies     occupation 
      1      -5.7809      2.00000
      2      -3.4561      2.00000
      3       6.1445      2.00000
      4       6.6675      2.00000
      5      17.9423      0.00000
      6      18.8854      0.00000
      7      19.4230      0.00000
      8      25.5274      0.00000

 k-point   159 :       0.4632    0.4632    0.5735
  band No.  band energies     occupation 
      1      -5.6856      2.00000
      2      -3.3578      2.00000
      3       5.7238      2.00000
      4       6.5102      2.00000
      5      17.7543      0.00000
      6      19.2079      0.00000
      7      19.8233      0.00000
      8      25.4655      0.00000

 k-point   160 :       0.4559    0.4559    0.5882
  band No.  band energies     occupation 
      1      -5.5694      2.00000
      2      -3.2392      2.00000
      3       5.2475      2.00000
      4       6.3324      2.00000
      5      17.5427      0.00000
      6      19.5813      0.00000
      7      20.2802      0.00000
      8      25.3609      0.00000

 k-point   161 :       0.4485    0.4485    0.6029
  band No.  band energies     occupation 
      1      -5.4324      2.00000
      2      -3.1010      2.00000
      3       4.7286      2.00000
      4       6.1405      2.00000
      5      17.3183      0.00000
      6      19.9975      0.00000
      7      20.7813      0.00000
      8      25.1966      0.00000

 k-point   162 :       0.4412    0.4412    0.6176
  band No.  band energies     occupation 
      1      -5.2749      2.00000
      2      -2.9442      2.00000
      3       4.1794      2.00000
      4       5.9401      2.00000
      5      17.0872      0.00000
      6      20.4461      0.00000
      7      21.3131      0.00000
      8      24.9601      0.00000

 k-point   163 :       0.4338    0.4338    0.6324
  band No.  band energies     occupation 
      1      -5.0972      2.00000
      2      -2.7712      2.00000
      3       3.6123      2.00000
      4       5.7364      2.00000
      5      16.8596      0.00000
      6      20.9183      0.00000
      7      21.8710      0.00000
      8      24.6558      0.00000

 k-point   164 :       0.4265    0.4265    0.6471
  band No.  band energies     occupation 
      1      -4.8999      2.00000
      2      -2.5846      2.00000
      3       3.0349      2.00000
      4       5.5305      2.00000
      5      16.6369      0.00000
      6      21.3980      0.00000
      7      22.4303      0.00000
      8      24.2751      0.00000

 k-point   165 :       0.4191    0.4191    0.6618
  band No.  band energies     occupation 
      1      -4.6835      2.00000
      2      -2.3890      2.00000
      3       2.4596      2.00000
      4       5.3330      2.00000
      5      16.4236      0.00000
      6      21.8775      0.00000
      7      22.9721      0.00000
      8      23.8585      0.00000

 k-point   166 :       0.4118    0.4118    0.6765
  band No.  band energies     occupation 
      1      -4.4490      2.00000
      2      -2.1921      2.00000
      3       1.9003      2.00000
      4       5.1436      2.00000
      5      16.2240      0.00000
      6      22.3531      0.00000
      7      23.1759      0.00000
      8      23.7247      0.00000

 k-point   167 :       0.4044    0.4044    0.6912
  band No.  band energies     occupation 
      1      -4.1984      2.00000
      2      -2.0077      2.00000
      3       1.3744      2.00000
      4       4.9651      2.00000
      5      16.0391      0.00000
      6      22.7306      0.00000
      7      22.8078      0.00000
      8      24.1732      0.00000

 k-point   168 :       0.3971    0.3971    0.7059
  band No.  band energies     occupation 
      1      -3.9349      2.00000
      2      -1.8604      2.00000
      3       0.9163      2.00000
      4       4.8006      2.00000
      5      15.8714      0.00000
      6      22.2034      0.00000
      7      23.2378      0.00000
      8      24.6506      0.00000

 k-point   169 :       0.3897    0.3897    0.7206
  band No.  band energies     occupation 
      1      -3.6658      2.00000
      2      -1.7933      2.00000
      3       0.5745      2.00000
      4       4.6505      2.00000
      5      15.7211      0.00000
      6      21.6551      0.00000
      7      23.6196      0.00000
      8      25.0543      0.00000

 k-point   170 :       0.3824    0.3824    0.7353
  band No.  band energies     occupation 
      1      -3.4092      2.00000
      2      -1.8450      2.00000
      3       0.4089      2.00000
      4       4.5180      2.00000
      5      15.5880      0.00000
      6      21.1124      0.00000
      7      23.9573      0.00000
      8      25.3371      0.00000

 k-point   171 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   172 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   173 :       0.6125    0.2250    0.6125
  band No.  band energies     occupation 
      1      -3.0524      2.00000
      2      -2.1719      2.00000
      3       0.6612      2.00000
      4       4.2289      2.00000
      5      15.3025      0.00000
      6      19.6852      0.00000
      7      24.6394      0.00000
      8      25.6952      0.00000

 k-point   174 :       0.6000    0.2000    0.6000
  band No.  band energies     occupation 
      1      -2.9577      2.00000
      2      -2.3473      2.00000
      3       0.9777      2.00000
      4       4.0718      2.00000
      5      15.1477      0.00000
      6      18.8147      0.00000
      7      25.0249      0.00000
      8      25.8761      0.00000

 k-point   175 :       0.5875    0.1750    0.5875
  band No.  band energies     occupation 
      1      -2.9169      2.00000
      2      -2.5023      2.00000
      3       1.3570      2.00000
      4       3.9315      2.00000
      5      15.0099      0.00000
      6      17.9791      0.00000
      7      25.3832      0.00000
      8      26.0474      0.00000

 k-point   176 :       0.5750    0.1500    0.5750
  band No.  band energies     occupation 
      1      -2.9113      2.00000
      2      -2.6367      2.00000
      3       1.7709      2.00000
      4       3.8087      2.00000
      5      14.8896      0.00000
      6      17.1925      0.00000
      7      25.7088      0.00000
      8      26.2063      0.00000

 k-point   177 :       0.5625    0.1250    0.5625
  band No.  band energies     occupation 
      1      -2.9255      2.00000
      2      -2.7507      2.00000
      3       2.1915      2.00000
      4       3.7039      2.00000
      5      14.7873      0.00000
      6      16.4711      0.00000
      7      25.9963      0.00000
      8      26.3494      0.00000

 k-point   178 :       0.5500    0.1000    0.5500
  band No.  band energies     occupation 
      1      -2.9482      2.00000
      2      -2.8439      2.00000
      3       2.5916      2.00000
      4       3.6176      2.00000
      5      14.7033      0.00000
      6      15.8331      0.00000
      7      26.2405      0.00000
      8      26.4733      0.00000

 k-point   179 :       0.5375    0.0750    0.5375
  band No.  band energies     occupation 
      1      -2.9723      2.00000
      2      -2.9167      2.00000
      3       2.9439      2.00000
      4       3.5501      2.00000
      5      14.6367      0.00000
      6      15.2994      0.00000
      7      26.4364      0.00000
      8      26.5695      0.00000

 k-point   180 :       0.5250    0.0500    0.5250
  band No.  band energies     occupation 
      1      -2.9923      2.00000
      2      -2.9686      2.00000
      3       3.2224      2.00000
      4       3.5017      2.00000
      5      14.5898      0.00000
      6      14.8945      0.00000
      7      26.6039      0.00000
      8      26.6454      0.00000

 k-point   181 :       0.5125    0.0250    0.5125
  band No.  band energies     occupation 
      1      -3.0054      2.00000
      2      -2.9997      2.00000
      3       3.3999      2.00000
      4       3.4726      2.00000
      5      14.5615      0.00000
      6      14.6397      0.00000
      7      26.6804      0.00000
      8      26.6911      0.00000

 k-point   182 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0099      2.00000
      2      -3.0099      2.00000
      3       3.4631      2.00000
      4       3.4631      2.00000
      5      14.5528      0.00000
      6      14.5528      0.00000
      7      26.7204      0.00000
      8      26.7204      0.00000

 k-point   183 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7469      2.00000
      2       9.8066      2.00000
      3       9.8066      2.00000
      4       9.8066      2.00000
      5      15.4057      0.00000
      6      15.4057      0.00000
      7      15.4057      0.00000
      8      23.1993      0.00000

 k-point   184 :       0.0208    0.0083    0.0208
  band No.  band energies     occupation 
      1     -11.7353      2.00000
      2       9.7418      2.00000
      3       9.7612      2.00000
      4       9.7877      2.00000
      5      15.4028      0.00000
      6      15.4607      0.00000
      7      15.4648      0.00000
      8      23.2096      0.00000

 k-point   185 :       0.0417    0.0167    0.0417
  band No.  band energies     occupation 
      1     -11.7006      2.00000
      2       9.5556      2.00000
      3       9.6307      2.00000
      4       9.7314      2.00000
      5      15.3945      0.00000
      6      15.6199      0.00000
      7      15.6342      0.00000
      8      23.2389      0.00000

 k-point   186 :       0.0625    0.0250    0.0625
  band No.  band energies     occupation 
      1     -11.6427      2.00000
      2       9.2681      2.00000
      3       9.4292      2.00000
      4       9.6383      2.00000
      5      15.3813      0.00000
      6      15.8689      0.00000
      7      15.8942      0.00000
      8      23.2821      0.00000

 k-point   187 :       0.0833    0.0333    0.0833
  band No.  band energies     occupation 
      1     -11.5617      2.00000
      2       8.9009      2.00000
      3       9.1738      2.00000
      4       9.5078      2.00000
      5      15.3602      0.00000
      6      16.1878      0.00000
      7      16.2196      0.00000
      8      23.3273      0.00000

 k-point   188 :       0.1042    0.0417    0.1042
  band No.  band energies     occupation 
      1     -11.4577      2.00000
      2       8.4775      2.00000
      3       8.8798      2.00000
      4       9.3408      2.00000
      5      15.3345      0.00000
      6      16.5564      0.00000
      7      16.5894      0.00000
      8      23.3616      0.00000

 k-point   189 :       0.1250    0.0500    0.1250
  band No.  band energies     occupation 
      1     -11.3308      2.00000
      2       8.0168      2.00000
      3       8.5650      2.00000
      4       9.1431      2.00000
      5      15.3168      0.00000
      6      16.9704      0.00000
      7      16.9980      0.00000
      8      23.3726      0.00000

 k-point   190 :       0.1458    0.0583    0.1458
  band No.  band energies     occupation 
      1     -11.1809      2.00000
      2       7.5264      2.00000
      3       8.2372      2.00000
      4       8.9167      2.00000
      5      15.2959      0.00000
      6      17.4085      0.00000
      7      17.4159      0.00000
      8      23.3363      0.00000

 k-point   191 :       0.1667    0.0667    0.1667
  band No.  band energies     occupation 
      1     -11.0083      2.00000
      2       7.0219      2.00000
      3       7.9034      2.00000
      4       8.6615      2.00000
      5      15.2768      0.00000
      6      17.8535      0.00000
      7      17.8628      0.00000
      8      23.2386      0.00000

 k-point   192 :       0.1875    0.0750    0.1875
  band No.  band energies     occupation 
      1     -10.8130      2.00000
      2       6.5067      2.00000
      3       7.5736      2.00000
      4       8.3800      2.00000
      5      15.2660      0.00000
      6      18.2994      0.00000
      7      18.3292      0.00000
      8      23.0663      0.00000

 k-point   193 :       0.2083    0.0833    0.2083
  band No.  band energies     occupation 
      1     -10.5953      2.00000
      2       5.9881      2.00000
      3       7.2498      2.00000
      4       8.0737      2.00000
      5      15.2542      0.00000
      6      18.7475      0.00000
      7      18.7964      0.00000
      8      22.8165      0.00000

 k-point   194 :       0.2292    0.0917    0.2292
  band No.  band energies     occupation 
      1     -10.3552      2.00000
      2       5.4684      2.00000
      3       6.9336      2.00000
      4       7.7414      2.00000
      5      15.2461      0.00000
      6      19.1957      0.00000
      7      19.2553      0.00000
      8      22.4957      0.00000

 k-point   195 :       0.2500    0.1000    0.2500
  band No.  band energies     occupation 
      1     -10.0930      2.00000
      2       4.9519      2.00000
      3       6.6316      2.00000
      4       7.3902      2.00000
      5      15.2452      0.00000
      6      19.6461      0.00000
      7      19.7140      0.00000
      8      22.1264      0.00000

 k-point   196 :       0.2708    0.1083    0.2708
  band No.  band energies     occupation 
      1      -9.8090      2.00000
      2       4.4402      2.00000
      3       6.3438      2.00000
      4       7.0186      2.00000
      5      15.2499      0.00000
      6      20.0888      0.00000
      7      20.1633      0.00000
      8      21.7290      0.00000

 k-point   197 :       0.2917    0.1167    0.2917
  band No.  band energies     occupation 
      1      -9.5035      2.00000
      2       3.9357      2.00000
      3       6.0718      2.00000
      4       6.6286      2.00000
      5      15.2600      0.00000
      6      20.5254      0.00000
      7      20.6007      0.00000
      8      21.3255      0.00000

 k-point   198 :       0.3125    0.1250    0.3125
  band No.  band energies     occupation 
      1      -9.1767      2.00000
      2       3.4399      2.00000
      3       5.8168      2.00000
      4       6.2220      2.00000
      5      15.2747      0.00000
      6      20.8886      0.00000
      7      21.0001      0.00000
      8      21.0240      0.00000

 k-point   199 :       0.3333    0.1333    0.3333
  band No.  band energies     occupation 
      1      -8.8291      2.00000
      2       2.9541      2.00000
      3       5.5787      2.00000
      4       5.7980      2.00000
      5      15.2897      0.00000
      6      20.5533      0.00000
      7      21.3787      0.00000
      8      21.4168      0.00000

 k-point   200 :       0.3542    0.1417    0.3542
  band No.  band energies     occupation 
      1      -8.4613      2.00000
      2       2.4799      2.00000
      3       5.3608      2.00000
      4       5.3648      2.00000
      5      15.3092      0.00000
      6      20.2212      0.00000
      7      21.7930      0.00000
      8      21.8063      0.00000

 k-point   201 :       0.3750    0.1500    0.3750
  band No.  band energies     occupation 
      1      -8.0738      2.00000
      2       2.0178      2.00000
      3       4.9222      2.00000
      4       5.1624      2.00000
      5      15.3289      0.00000
      6      19.9332      0.00000
      7      22.1776      0.00000
      8      22.1995      0.00000

 k-point   202 :       0.3958    0.1583    0.3958
  band No.  band energies     occupation 
      1      -7.6674      2.00000
      2       1.5688      2.00000
      3       4.4725      2.00000
      4       4.9841      2.00000
      5      15.3454      0.00000
      6      19.6956      0.00000
      7      22.5305      0.00000
      8      22.5943      0.00000

 k-point   203 :       0.4167    0.1667    0.4167
  band No.  band energies     occupation 
      1      -7.2430      2.00000
      2       1.1326      2.00000
      3       4.0187      2.00000
      4       4.8263      2.00000
      5      15.3571      0.00000
      6      19.5142      0.00000
      7      22.8614      0.00000
      8      22.9793      0.00000

 k-point   204 :       0.4375    0.1750    0.4375
  band No.  band energies     occupation 
      1      -6.8018      2.00000
      2       0.7103      2.00000
      3       3.5651      2.00000
      4       4.6894      2.00000
      5      15.3642      0.00000
      6      19.3926      0.00000
      7      23.1698      0.00000
      8      23.3536      0.00000

 k-point   205 :       0.4583    0.1833    0.4583
  band No.  band energies     occupation 
      1      -6.3454      2.00000
      2       0.3013      2.00000
      3       3.1143      2.00000
      4       4.5714      2.00000
      5      15.3648      0.00000
      6      19.3294      0.00000
      7      23.4462      0.00000
      8      23.7123      0.00000

 k-point   206 :       0.4792    0.1917    0.4792
  band No.  band energies     occupation 
      1      -5.8761      2.00000
      2      -0.0941      2.00000
      3       2.6714      2.00000
      4       4.4766      2.00000
      5      15.3614      0.00000
      6      19.3236      0.00000
      7      23.7012      0.00000
      8      24.0557      0.00000

 k-point   207 :       0.5000    0.2000    0.5000
  band No.  band energies     occupation 
      1      -5.3971      2.00000
      2      -0.4749      2.00000
      3       2.2411      2.00000
      4       4.4031      2.00000
      5      15.3562      0.00000
      6      19.3716      0.00000
      7      23.9240      0.00000
      8      24.3816      0.00000

 k-point   208 :       0.5208    0.2083    0.5208
  band No.  band energies     occupation 
      1      -4.9132      2.00000
      2      -0.8401      2.00000
      3       1.8294      2.00000
      4       4.3507      2.00000
      5      15.3529      0.00000
      6      19.4725      0.00000
      7      24.1091      0.00000
      8      24.6862      0.00000

 k-point   209 :       0.5417    0.2167    0.5417
  band No.  band energies     occupation 
      1      -4.4327      2.00000
      2      -1.1871      2.00000
      3       1.4434      2.00000
      4       4.3195      2.00000
      5      15.3548      0.00000
      6      19.6197      0.00000
      7      24.2503      0.00000
      8      24.9637      0.00000

 k-point   210 :       0.5625    0.2250    0.5625
  band No.  band energies     occupation 
      1      -3.9710      2.00000
      2      -1.5087      2.00000
      3       1.0927      2.00000
      4       4.3092      2.00000
      5      15.3657      0.00000
      6      19.8083      0.00000
      7      24.3402      0.00000
      8      25.2064      0.00000

 k-point   211 :       0.5833    0.2333    0.5833
  band No.  band energies     occupation 
      1      -3.5609      2.00000
      2      -1.7852      2.00000
      3       0.7907      2.00000
      4       4.3196      2.00000
      5      15.3876      0.00000
      6      20.0335      0.00000
      7      24.3716      0.00000
      8      25.3953      0.00000

 k-point   212 :       0.6042    0.2417    0.6042
  band No.  band energies     occupation 
      1      -3.2751      2.00000
      2      -1.9648      2.00000
      3       0.5591      2.00000
      4       4.3516      2.00000
      5      15.4224      0.00000
      6      20.2904      0.00000
      7      24.3354      0.00000
      8      25.5052      0.00000

 k-point   213 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   214 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7469      2.00000
      2       9.8066      2.00000
      3       9.8066      2.00000
      4       9.8066      2.00000
      5      15.4057      0.00000
      6      15.4057      0.00000
      7      15.4057      0.00000
      8      23.1993      0.00000

 k-point   215 :       0.0161    0.0081    0.0242
  band No.  band energies     occupation 
      1     -11.7348      2.00000
      2       9.7380      2.00000
      3       9.7543      2.00000
      4       9.7933      2.00000
      5      15.4076      0.00000
      6      15.4568      0.00000
      7      15.4682      0.00000
      8      23.2101      0.00000

 k-point   216 :       0.0323    0.0161    0.0484
  band No.  band energies     occupation 
      1     -11.6987      2.00000
      2       9.5416      2.00000
      3       9.6032      2.00000
      4       9.7536      2.00000
      5      15.4137      0.00000
      6      15.6050      0.00000
      7      15.6461      0.00000
      8      23.2411      0.00000

 k-point   217 :       0.0484    0.0242    0.0726
  band No.  band energies     occupation 
      1     -11.6385      2.00000
      2       9.2409      2.00000
      3       9.3675      2.00000
      4       9.6877      2.00000
      5      15.4244      0.00000
      6      15.8364      0.00000
      7      15.9153      0.00000
      8      23.2881      0.00000

 k-point   218 :       0.0645    0.0323    0.0968
  band No.  band energies     occupation 
      1     -11.5542      2.00000
      2       8.8590      2.00000
      3       9.0644      2.00000
      4       9.5941      2.00000
      5      15.4362      0.00000
      6      16.1292      0.00000
      7      16.2449      0.00000
      8      23.3395      0.00000

 k-point   219 :       0.0806    0.0403    0.1210
  band No.  band energies     occupation 
      1     -11.4460      2.00000
      2       8.4261      2.00000
      3       8.7115      2.00000
      4       9.4761      2.00000
      5      15.4578      0.00000
      6      16.4812      0.00000
      7      16.6149      0.00000
      8      23.3905      0.00000

 k-point   220 :       0.0968    0.0484    0.1452
  band No.  band energies     occupation 
      1     -11.3140      2.00000
      2       7.9539      2.00000
      3       8.3221      2.00000
      4       9.3291      2.00000
      5      15.4836      0.00000
      6      16.8630      0.00000
      7      16.9976      0.00000
      8      23.4174      0.00000

 k-point   221 :       0.1129    0.0565    0.1694
  band No.  band energies     occupation 
      1     -11.1581      2.00000
      2       7.4641      2.00000
      3       7.9100      2.00000
      4       9.1636      2.00000
      5      15.5264      0.00000
      6      17.2798      0.00000
      7      17.3954      0.00000
      8      23.4194      0.00000

 k-point   222 :       0.1290    0.0645    0.1935
  band No.  band energies     occupation 
      1     -10.9785      2.00000
      2       6.9599      2.00000
      3       7.4801      2.00000
      4       8.9747      2.00000
      5      15.5750      0.00000
      6      17.7190      0.00000
      7      17.7819      0.00000
      8      23.3698      0.00000

 k-point   223 :       0.1452    0.0726    0.2177
  band No.  band energies     occupation 
      1     -10.7755      2.00000
      2       6.4507      2.00000
      3       7.0414      2.00000
      4       8.7635      2.00000
      5      15.6351      0.00000
      6      18.1473      0.00000
      7      18.1711      0.00000
      8      23.2615      0.00000

 k-point   224 :       0.1613    0.0806    0.2419
  band No.  band energies     occupation 
      1     -10.5491      2.00000
      2       5.9401      2.00000
      3       6.5990      2.00000
      4       8.5304      2.00000
      5      15.7083      0.00000
      6      18.4978      0.00000
      7      18.6426      0.00000
      8      23.0876      0.00000

 k-point   225 :       0.1774    0.0887    0.2661
  band No.  band energies     occupation 
      1     -10.2995      2.00000
      2       5.4339      2.00000
      3       6.1589      2.00000
      4       8.2764      2.00000
      5      15.7956      0.00000
      6      18.8238      0.00000
      7      19.1282      0.00000
      8      22.8574      0.00000

 k-point   226 :       0.1935    0.0968    0.2903
  band No.  band energies     occupation 
      1     -10.0271      2.00000
      2       4.9337      2.00000
      3       5.7226      2.00000
      4       8.0021      2.00000
      5      15.8979      0.00000
      6      19.1209      0.00000
      7      19.6248      0.00000
      8      22.5835      0.00000

 k-point   227 :       0.2097    0.1048    0.3145
  band No.  band energies     occupation 
      1      -9.7322      2.00000
      2       4.4415      2.00000
      3       5.2927      2.00000
      4       7.7050      2.00000
      5      16.0191      0.00000
      6      19.3862      0.00000
      7      20.1346      0.00000
      8      22.2848      0.00000

 k-point   228 :       0.2258    0.1129    0.3387
  band No.  band energies     occupation 
      1      -9.4149      2.00000
      2       3.9595      2.00000
      3       4.8724      2.00000
      4       7.3926      2.00000
      5      16.1541      0.00000
      6      19.6140      0.00000
      7      20.6481      0.00000
      8      21.9857      0.00000

 k-point   229 :       0.2419    0.1210    0.3629
  band No.  band energies     occupation 
      1      -9.0760      2.00000
      2       3.4889      2.00000
      3       4.4633      2.00000
      4       7.0631      2.00000
      5      16.3059      0.00000
      6      19.8000      0.00000
      7      21.1673      0.00000
      8      21.7067      0.00000

 k-point   230 :       0.2581    0.1290    0.3871
  band No.  band energies     occupation 
      1      -8.7157      2.00000
      2       3.0306      2.00000
      3       4.0677      2.00000
      4       6.7180      2.00000
      5      16.4765      0.00000
      6      19.9350      0.00000
      7      21.4702      0.00000
      8      21.6902      0.00000

 k-point   231 :       0.2742    0.1371    0.4113
  band No.  band energies     occupation 
      1      -8.3348      2.00000
      2       2.5851      2.00000
      3       3.6865      2.00000
      4       6.3578      2.00000
      5      16.6642      0.00000
      6      20.0065      0.00000
      7      21.2991      0.00000
      8      22.2133      0.00000

 k-point   232 :       0.2903    0.1452    0.4355
  band No.  band energies     occupation 
      1      -7.9341      2.00000
      2       2.1539      2.00000
      3       3.3226      2.00000
      4       5.9879      2.00000
      5      16.8718      0.00000
      6      20.0080      0.00000
      7      21.2095      0.00000
      8      22.7329      0.00000

 k-point   233 :       0.3065    0.1532    0.4597
  band No.  band energies     occupation 
      1      -7.5144      2.00000
      2       1.7366      2.00000
      3       2.9771      2.00000
      4       5.6085      2.00000
      5      17.0984      0.00000
      6      19.9517      0.00000
      7      21.1950      0.00000
      8      23.2417      0.00000

 k-point   234 :       0.3226    0.1613    0.4839
  band No.  band energies     occupation 
      1      -7.0771      2.00000
      2       1.3336      2.00000
      3       2.6516      2.00000
      4       5.2230      2.00000
      5      17.3441      0.00000
      6      19.8679      0.00000
      7      21.2307      0.00000
      8      23.7305      0.00000

 k-point   235 :       0.3387    0.1694    0.5081
  band No.  band energies     occupation 
      1      -6.6236      2.00000
      2       0.9451      2.00000
      3       2.3479      2.00000
      4       4.8341      2.00000
      5      17.6088      0.00000
      6      19.7837      0.00000
      7      21.2934      0.00000
      8      24.1839      0.00000

 k-point   236 :       0.3548    0.1774    0.5323
  band No.  band energies     occupation 
      1      -6.1559      2.00000
      2       0.5715      2.00000
      3       2.0685      2.00000
      4       4.4456      2.00000
      5      17.8920      0.00000
      6      19.7171      0.00000
      7      21.3708      0.00000
      8      24.5726      0.00000

 k-point   237 :       0.3710    0.1855    0.5565
  band No.  band energies     occupation 
      1      -5.6766      2.00000
      2       0.2114      2.00000
      3       1.8149      2.00000
      4       4.0573      2.00000
      5      18.1926      0.00000
      6      19.6734      0.00000
      7      21.4509      0.00000
      8      24.8642      0.00000

 k-point   238 :       0.3871    0.1935    0.5806
  band No.  band energies     occupation 
      1      -5.1891      2.00000
      2      -0.1352      2.00000
      3       1.5903      2.00000
      4       3.6771      2.00000
      5      18.5106      0.00000
      6      19.6604      0.00000
      7      21.5324      0.00000
      8      25.0028      0.00000

 k-point   239 :       0.4032    0.2016    0.6048
  band No.  band energies     occupation 
      1      -4.6982      2.00000
      2      -0.4682      2.00000
      3       1.3999      2.00000
      4       3.3056      2.00000
      5      18.8441      0.00000
      6      19.6774      0.00000
      7      21.6146      0.00000
      8      24.9338      0.00000

 k-point   240 :       0.4194    0.2097    0.6290
  band No.  band energies     occupation 
      1      -4.2103      2.00000
      2      -0.7880      2.00000
      3       1.2492      2.00000
      4       2.9468      2.00000
      5      19.1908      0.00000
      6      19.7324      0.00000
      7      21.7017      0.00000
      8      24.6542      0.00000

 k-point   241 :       0.4355    0.2177    0.6532
  band No.  band energies     occupation 
      1      -3.7341      2.00000
      2      -1.0955      2.00000
      3       1.1452      2.00000
      4       2.6030      2.00000
      5      19.5452      0.00000
      6      19.8150      0.00000
      7      21.7905      0.00000
      8      24.1915      0.00000

 k-point   242 :       0.4516    0.2258    0.6774
  band No.  band energies     occupation 
      1      -3.2813      2.00000
      2      -1.3912      2.00000
      3       1.0991      2.00000
      4       2.2769      2.00000
      5      19.8986      0.00000
      6      19.9289      0.00000
      7      21.8822      0.00000
      8      23.6252      0.00000

 k-point   243 :       0.4677    0.2339    0.7016
  band No.  band energies     occupation 
      1      -2.8671      2.00000
      2      -1.6757      2.00000
      3       1.1226      2.00000
      4       1.9710      2.00000
      5      20.0727      0.00000
      6      20.2262      0.00000
      7      21.9759      0.00000
      8      23.0157      0.00000

 k-point   244 :       0.4839    0.2419    0.7258
  band No.  band energies     occupation 
      1      -2.5070      2.00000
      2      -1.9496      2.00000
      3       1.2287      2.00000
      4       1.6872      2.00000
      5      20.2438      0.00000
      6      20.4620      0.00000
      7      22.0705      0.00000
      8      22.4678      0.00000

 k-point   245 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -2.2133      2.00000
      2      -2.2133      2.00000
      3       1.4281      2.00000
      4       1.4281      2.00000
      5      20.4433      0.00000
      6      20.4433      0.00000
      7      22.1702      0.00000
      8      22.1702      0.00000

 k-point   246 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   247 :       0.3897    0.3676    0.7426
  band No.  band energies     occupation 
      1      -3.2917      2.00000
      2      -1.9056      2.00000
      3       0.4068      2.00000
      4       4.4114      2.00000
      5      15.5923      0.00000
      6      20.8451      0.00000
      7      24.0623      0.00000
      8      25.3928      0.00000

 k-point   248 :       0.4044    0.3603    0.7353
  band No.  band energies     occupation 
      1      -3.3781      2.00000
      2      -1.8319      2.00000
      3       0.4387      2.00000
      4       4.3380      2.00000
      5      15.8384      0.00000
      6      21.1178      0.00000
      7      23.8032      0.00000
      8      25.1805      0.00000

 k-point   249 :       0.4191    0.3529    0.7279
  band No.  band energies     occupation 
      1      -3.4643      2.00000
      2      -1.7723      2.00000
      3       0.5300      2.00000
      4       4.1921      2.00000
      5      16.1988      0.00000
      6      21.3883      0.00000
      7      23.4242      0.00000
      8      24.9156      0.00000

 k-point   250 :       0.4338    0.3456    0.7206
  band No.  band energies     occupation 
      1      -3.5427      2.00000
      2      -1.7323      2.00000
      3       0.6743      2.00000
      4       3.9931      2.00000
      5      16.6567      0.00000
      6      21.6322      0.00000
      7      22.9720      0.00000
      8      24.6291      0.00000

 k-point   251 :       0.4485    0.3382    0.7132
  band No.  band energies     occupation 
      1      -3.6087      2.00000
      2      -1.7102      2.00000
      3       0.8562      2.00000
      4       3.7626      2.00000
      5      17.1925      0.00000
      6      21.7205      0.00000
      7      22.5967      0.00000
      8      24.3387      0.00000

 k-point   252 :       0.4632    0.3309    0.7059
  band No.  band energies     occupation 
      1      -3.6599      2.00000
      2      -1.7005      2.00000
      3       1.0524      2.00000
      4       3.5279      2.00000
      5      17.7819      0.00000
      6      21.3806      0.00000
      7      22.6054      0.00000
      8      24.0485      0.00000

 k-point   253 :       0.4779    0.3235    0.6985
  band No.  band energies     occupation 
      1      -3.6947      2.00000
      2      -1.6975      2.00000
      3       1.2288      2.00000
      4       3.3247      2.00000
      5      18.3885      0.00000
      6      20.8064      0.00000
      7      22.8412      0.00000
      8      23.7530      0.00000

 k-point   254 :       0.4926    0.3162    0.6912
  band No.  band energies     occupation 
      1      -3.7123      2.00000
      2      -1.6971      2.00000
      3       1.3387      2.00000
      4       3.2001      2.00000
      5      18.8993      0.00000
      6      20.2928      0.00000
      7      23.1157      0.00000
      8      23.4657      0.00000

 k-point   255 :       0.5074    0.3088    0.6838
  band No.  band energies     occupation 
      1      -3.7123      2.00000
      2      -1.6971      2.00000
      3       1.3387      2.00000
      4       3.2001      2.00000
      5      18.8993      0.00000
      6      20.2928      0.00000
      7      23.1157      0.00000
      8      23.4657      0.00000

 k-point   256 :       0.5221    0.3015    0.6765
  band No.  band energies     occupation 
      1      -3.6947      2.00000
      2      -1.6975      2.00000
      3       1.2288      2.00000
      4       3.3247      2.00000
      5      18.3885      0.00000
      6      20.8064      0.00000
      7      22.8412      0.00000
      8      23.7530      0.00000

 k-point   257 :       0.5368    0.2941    0.6691
  band No.  band energies     occupation 
      1      -3.6599      2.00000
      2      -1.7005      2.00000
      3       1.0524      2.00000
      4       3.5279      2.00000
      5      17.7819      0.00000
      6      21.3806      0.00000
      7      22.6054      0.00000
      8      24.0485      0.00000

 k-point   258 :       0.5515    0.2868    0.6618
  band No.  band energies     occupation 
      1      -3.6087      2.00000
      2      -1.7102      2.00000
      3       0.8562      2.00000
      4       3.7626      2.00000
      5      17.1925      0.00000
      6      21.7205      0.00000
      7      22.5967      0.00000
      8      24.3387      0.00000

 k-point   259 :       0.5662    0.2794    0.6544
  band No.  band energies     occupation 
      1      -3.5427      2.00000
      2      -1.7323      2.00000
      3       0.6743      2.00000
      4       3.9931      2.00000
      5      16.6567      0.00000
      6      21.6322      0.00000
      7      22.9720      0.00000
      8      24.6291      0.00000

 k-point   260 :       0.5809    0.2721    0.6471
  band No.  band energies     occupation 
      1      -3.4643      2.00000
      2      -1.7723      2.00000
      3       0.5300      2.00000
      4       4.1921      2.00000
      5      16.1988      0.00000
      6      21.3883      0.00000
      7      23.4242      0.00000
      8      24.9156      0.00000

 k-point   261 :       0.5956    0.2647    0.6397
  band No.  band energies     occupation 
      1      -3.3781      2.00000
      2      -1.8319      2.00000
      3       0.4387      2.00000
      4       4.3380      2.00000
      5      15.8384      0.00000
      6      21.1178      0.00000
      7      23.8032      0.00000
      8      25.1805      0.00000

 k-point   262 :       0.6103    0.2574    0.6324
  band No.  band energies     occupation 
      1      -3.2917      2.00000
      2      -1.9056      2.00000
      3       0.4068      2.00000
      4       4.4114      2.00000
      5      15.5923      0.00000
      6      20.8451      0.00000
      7      24.0623      0.00000
      8      25.3928      0.00000

 k-point   263 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   264 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -3.2185      2.00000
      2      -1.9761      2.00000
      3       0.4323      2.00000
      4       4.4021      2.00000
      5      15.4737      0.00000
      6      20.5763      0.00000
      7      24.2319      0.00000
      8      25.5076      0.00000

 k-point   265 :       0.3807    0.3580    0.7386
  band No.  band energies     occupation 
      1      -3.3120      2.00000
      2      -1.8774      2.00000
      3       0.3697      2.00000
      4       4.4361      2.00000
      5      15.6241      0.00000
      6      20.9855      0.00000
      7      23.9921      0.00000
      8      25.3661      0.00000

 k-point   266 :       0.3864    0.3409    0.7273
  band No.  band energies     occupation 
      1      -3.4053      2.00000
      2      -1.7686      2.00000
      3       0.3445      2.00000
      4       4.3816      2.00000
      5      15.9073      0.00000
      6      21.3907      0.00000
      7      23.6881      0.00000
      8      25.1354      0.00000

 k-point   267 :       0.3920    0.3239    0.7159
  band No.  band energies     occupation 
      1      -3.4972      2.00000
      2      -1.6512      2.00000
      3       0.3577      2.00000
      4       4.2481      2.00000
      5      16.3084      0.00000
      6      21.7851      0.00000
      7      23.2956      0.00000
      8      24.7883      0.00000

 k-point   268 :       0.3977    0.3068    0.7045
  band No.  band energies     occupation 
      1      -3.5862      2.00000
      2      -1.5272      2.00000
      3       0.4068      2.00000
      4       4.0546      2.00000
      5      16.8094      0.00000
      6      22.0962      0.00000
      7      22.9164      0.00000
      8      24.3491      0.00000

 k-point   269 :       0.4034    0.2898    0.6932
  band No.  band energies     occupation 
      1      -3.6705      2.00000
      2      -1.4004      2.00000
      3       0.4892      2.00000
      4       3.8191      2.00000
      5      17.3876      0.00000
      6      21.9960      0.00000
      7      22.8862      0.00000
      8      23.8330      0.00000

 k-point   270 :       0.4091    0.2727    0.6818
  band No.  band energies     occupation 
      1      -3.7482      2.00000
      2      -1.2754      2.00000
      3       0.6014      2.00000
      4       3.5608      2.00000
      5      18.0185      0.00000
      6      21.4962      0.00000
      7      23.1936      0.00000
      8      23.2647      0.00000

 k-point   271 :       0.4148    0.2557    0.6705
  band No.  band energies     occupation 
      1      -3.8169      2.00000
      2      -1.1583      2.00000
      3       0.7432      2.00000
      4       3.2983      2.00000
      5      18.6716      0.00000
      6      20.9075      0.00000
      7      22.6816      0.00000
      8      23.5588      0.00000

 k-point   272 :       0.4205    0.2386    0.6591
  band No.  band energies     occupation 
      1      -3.8749      2.00000
      2      -1.0581      2.00000
      3       0.9091      2.00000
      4       3.0489      2.00000
      5      19.2895      0.00000
      6      20.2892      0.00000
      7      22.1336      0.00000
      8      23.9202      0.00000

 k-point   273 :       0.4261    0.2216    0.6477
  band No.  band energies     occupation 
      1      -3.9206      2.00000
      2      -0.9852      2.00000
      3       1.0969      2.00000
      4       2.8285      2.00000
      5      19.6615      0.00000
      6      19.7198      0.00000
      7      21.7751      0.00000
      8      24.2652      0.00000

 k-point   274 :       0.4318    0.2045    0.6364
  band No.  band energies     occupation 
      1      -3.9526      2.00000
      2      -0.9513      2.00000
      3       1.3032      2.00000
      4       2.6569      2.00000
      5      19.0360      0.00000
      6      19.6922      0.00000
      7      21.8764      0.00000
      8      24.5843      0.00000

 k-point   275 :       0.4375    0.1875    0.6250
  band No.  band energies     occupation 
      1      -3.9696      2.00000
      2      -0.9664      2.00000
      3       1.5252      2.00000
      4       2.5468      2.00000
      5      18.4236      0.00000
      6      19.2664      0.00000
      7      22.3813      0.00000
      8      24.8866      0.00000

 k-point   276 :       0.4432    0.1705    0.6136
  band No.  band energies     occupation 
      1      -3.9706      2.00000
      2      -1.0357      2.00000
      3       1.7580      2.00000
      4       2.5025      2.00000
      5      17.8269      0.00000
      6      18.6945      0.00000
      7      23.0264      0.00000
      8      25.1665      0.00000

 k-point   277 :       0.4489    0.1534    0.6023
  band No.  band energies     occupation 
      1      -3.9548      2.00000
      2      -1.1569      2.00000
      3       1.9974      2.00000
      4       2.5223      2.00000
      5      17.2544      0.00000
      6      18.0890      0.00000
      7      23.6883      0.00000
      8      25.4190      0.00000

 k-point   278 :       0.4545    0.1364    0.5909
  band No.  band energies     occupation 
      1      -3.9216      2.00000
      2      -1.3209      2.00000
      3       2.2393      2.00000
      4       2.5969      2.00000
      5      16.7167      0.00000
      6      17.4906      0.00000
      7      24.3278      0.00000
      8      25.6610      0.00000

 k-point   279 :       0.4602    0.1193    0.5795
  band No.  band energies     occupation 
      1      -3.8707      2.00000
      2      -1.5161      2.00000
      3       2.4769      2.00000
      4       2.7120      2.00000
      5      16.2187      0.00000
      6      16.9191      0.00000
      7      24.9193      0.00000
      8      25.8758      0.00000

 k-point   280 :       0.4659    0.1023    0.5682
  band No.  band energies     occupation 
      1      -3.8015      2.00000
      2      -1.7306      2.00000
      3       2.7045      2.00000
      4       2.8509      2.00000
      5      15.7691      0.00000
      6      16.3861      0.00000
      7      25.4316      0.00000
      8      26.0703      0.00000

 k-point   281 :       0.4716    0.0852    0.5568
  band No.  band energies     occupation 
      1      -3.7141      2.00000
      2      -1.9546      2.00000
      3       2.9150      2.00000
      4       2.9996      2.00000
      5      15.3763      0.00000
      6      15.9031      0.00000
      7      25.8578      0.00000
      8      26.2441      0.00000

 k-point   282 :       0.4773    0.0682    0.5455
  band No.  band energies     occupation 
      1      -3.6085      2.00000
      2      -2.1806      2.00000
      3       3.1008      2.00000
      4       3.1444      2.00000
      5      15.0491      0.00000
      6      15.4799      0.00000
      7      26.1921      0.00000
      8      26.3958      0.00000

 k-point   283 :       0.4830    0.0511    0.5341
  band No.  band energies     occupation 
      1      -3.4847      2.00000
      2      -2.4027      2.00000
      3       3.2546      2.00000
      4       3.2732      2.00000
      5      14.7962      0.00000
      6      15.1256      0.00000
      7      26.4359      0.00000
      8      26.5231      0.00000

 k-point   284 :       0.4886    0.0341    0.5227
  band No.  band energies     occupation 
      1      -3.3433      2.00000
      2      -2.6172      2.00000
      3       3.3684      2.00000
      4       3.3737      2.00000
      5      14.6251      0.00000
      6      14.8469      0.00000
      7      26.5817      0.00000
      8      26.6082      0.00000

 k-point   285 :       0.4943    0.0170    0.5114
  band No.  band energies     occupation 
      1      -3.1847      2.00000
      2      -2.8203      2.00000
      3       3.4389      2.00000
      4       3.4395      2.00000
      5      14.5428      0.00000
      6      14.6547      0.00000
      7      26.6815      0.00000
      8      26.6850      0.00000

 k-point   286 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0099      2.00000
      2      -3.0099      2.00000
      3       3.4631      2.00000
      4       3.4631      2.00000
      5      14.5528      0.00000
      6      14.5528      0.00000
      7      26.7204      0.00000
      8      26.7204      0.00000

 k-point   287 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -5.9507      2.00000
      2      -3.6327      2.00000
      3       6.9807      2.00000
      4       6.9807      2.00000
      5      18.2689      0.00000
      6      18.2689      0.00000
      7      18.6801      0.00000
      8      25.5518      0.00000

 k-point   288 :       0.5000    0.4792    0.5000
  band No.  band energies     occupation 
      1      -5.9549      2.00000
      2      -3.6069      2.00000
      3       6.9374      2.00000
      4       6.9573      2.00000
      5      18.2497      0.00000
      6      18.3106      0.00000
      7      18.7165      0.00000
      8      25.5523      0.00000

 k-point   289 :       0.5000    0.4583    0.5000
  band No.  band energies     occupation 
      1      -5.9662      2.00000
      2      -3.5310      2.00000
      3       6.8097      2.00000
      4       6.8885      2.00000
      5      18.1803      0.00000
      6      18.4343      0.00000
      7      18.8374      0.00000
      8      25.5480      0.00000

 k-point   290 :       0.5000    0.4375    0.5000
  band No.  band energies     occupation 
      1      -5.9815      2.00000
      2      -3.4082      2.00000
      3       6.6019      2.00000
      4       6.7777      2.00000
      5      18.0567      0.00000
      6      18.6386      0.00000
      7      19.0491      0.00000
      8      25.5243      0.00000

 k-point   291 :       0.5000    0.4167    0.5000
  band No.  band energies     occupation 
      1      -5.9966      2.00000
      2      -3.2433      2.00000
      3       6.3274      2.00000
      4       6.6290      2.00000
      5      17.8864      0.00000
      6      18.9131      0.00000
      7      19.3448      0.00000
      8      25.4548      0.00000

 k-point   292 :       0.5000    0.3958    0.5000
  band No.  band energies     occupation 
      1      -6.0072      2.00000
      2      -3.0418      2.00000
      3       5.9975      2.00000
      4       6.4506      2.00000
      5      17.6708      0.00000
      6      19.2492      0.00000
      7      19.7045      0.00000
      8      25.2979      0.00000

 k-point   293 :       0.5000    0.3750    0.5000
  band No.  band energies     occupation 
      1      -6.0092      2.00000
      2      -2.8075      2.00000
      3       5.6233      2.00000
      4       6.2502      2.00000
      5      17.4325      0.00000
      6      19.6421      0.00000
      7      20.1222      0.00000
      8      25.0427      0.00000

 k-point   294 :       0.5000    0.3542    0.5000
  band No.  band energies     occupation 
      1      -5.9995      2.00000
      2      -2.5469      2.00000
      3       5.2147      2.00000
      4       6.0338      2.00000
      5      17.1754      0.00000
      6      20.0833      0.00000
      7      20.5827      0.00000
      8      24.6558      0.00000

 k-point   295 :       0.5000    0.3333    0.5000
  band No.  band energies     occupation 
      1      -5.9757      2.00000
      2      -2.2640      2.00000
      3       4.7835      2.00000
      4       5.8065      2.00000
      5      16.9103      0.00000
      6      20.5586      0.00000
      7      21.0761      0.00000
      8      24.1427      0.00000

 k-point   296 :       0.5000    0.3125    0.5000
  band No.  band energies     occupation 
      1      -5.9359      2.00000
      2      -1.9638      2.00000
      3       4.3378      2.00000
      4       5.5742      2.00000
      5      16.6418      0.00000
      6      21.0626      0.00000
      7      21.5890      0.00000
      8      23.5181      0.00000

 k-point   297 :       0.5000    0.2917    0.5000
  band No.  band energies     occupation 
      1      -5.8786      2.00000
      2      -1.6522      2.00000
      3       3.8883      2.00000
      4       5.3417      2.00000
      5      16.3792      0.00000
      6      21.5878      0.00000
      7      22.1122      0.00000
      8      22.8207      0.00000

 k-point   298 :       0.5000    0.2708    0.5000
  band No.  band energies     occupation 
      1      -5.8026      2.00000
      2      -1.3374      2.00000
      3       3.4461      2.00000
      4       5.1131      2.00000
      5      16.1242      0.00000
      6      22.0423      0.00000
      7      22.1185      0.00000
      8      22.6705      0.00000

 k-point   299 :       0.5000    0.2500    0.5000
  band No.  band energies     occupation 
      1      -5.7074      2.00000
      2      -1.0314      2.00000
      3       3.0225      2.00000
      4       4.8894      2.00000
      5      15.8797      0.00000
      6      21.2619      0.00000
      7      22.6525      0.00000
      8      23.1880      0.00000

 k-point   300 :       0.5000    0.2292    0.5000
  band No.  band energies     occupation 
      1      -5.5923      2.00000
      2      -0.7534      2.00000
      3       2.6423      2.00000
      4       4.6790      2.00000
      5      15.6501      0.00000
      6      20.4701      0.00000
      7      23.1954      0.00000
      8      23.7077      0.00000

 k-point   301 :       0.5000    0.2083    0.5000
  band No.  band energies     occupation 
      1      -5.4569      2.00000
      2      -0.5352      2.00000
      3       2.3345      2.00000
      4       4.4788      2.00000
      5      15.4369      0.00000
      6      19.6833      0.00000
      7      23.7200      0.00000
      8      24.1916      0.00000

 k-point   302 :       0.5000    0.1875    0.5000
  band No.  band energies     occupation 
      1      -5.3012      2.00000
      2      -0.4233      2.00000
      3       2.1426      2.00000
      4       4.2939      2.00000
      5      15.2406      0.00000
      6      18.9110      0.00000
      7      24.2227      0.00000
      8      24.6565      0.00000

 k-point   303 :       0.5000    0.1667    0.5000
  band No.  band energies     occupation 
      1      -5.1249      2.00000
      2      -0.4574      2.00000
      3       2.1043      2.00000
      4       4.1250      2.00000
      5      15.0632      0.00000
      6      18.1676      0.00000
      7      24.6969      0.00000
      8      25.0839      0.00000

 k-point   304 :       0.5000    0.1458    0.5000
  band No.  band energies     occupation 
      1      -4.9282      2.00000
      2      -0.6338      2.00000
      3       2.2115      2.00000
      4       3.9732      2.00000
      5      14.9059      0.00000
      6      17.4639      0.00000
      7      25.1352      0.00000
      8      25.4669      0.00000

 k-point   305 :       0.5000    0.1250    0.5000
  band No.  band energies     occupation 
      1      -4.7112      2.00000
      2      -0.9090      2.00000
      3       2.4143      2.00000
      4       3.8398      2.00000
      5      14.7699      0.00000
      6      16.8107      0.00000
      7      25.5303      0.00000
      8      25.8007      0.00000

 k-point   306 :       0.5000    0.1042    0.5000
  band No.  band energies     occupation 
      1      -4.4743      2.00000
      2      -1.2383      2.00000
      3       2.6599      2.00000
      4       3.7256      2.00000
      5      14.6562      0.00000
      6      16.2196      0.00000
      7      25.8758      0.00000
      8      26.0823      0.00000

 k-point   307 :       0.5000    0.0833    0.5000
  band No.  band energies     occupation 
      1      -4.2177      2.00000
      2      -1.5926      2.00000
      3       2.9091      2.00000
      4       3.6313      2.00000
      5      14.5668      0.00000
      6      15.7027      0.00000
      7      26.1664      0.00000
      8      26.3108      0.00000

 k-point   308 :       0.5000    0.0625    0.5000
  band No.  band energies     occupation 
      1      -3.9421      2.00000
      2      -1.9553      2.00000
      3       3.1339      2.00000
      4       3.5573      2.00000
      5      14.5042      0.00000
      6      15.2703      0.00000
      7      26.4178      0.00000
      8      26.4868      0.00000

 k-point   309 :       0.5000    0.0417    0.5000
  band No.  band energies     occupation 
      1      -3.6483      2.00000
      2      -2.3158      2.00000
      3       3.3106      2.00000
      4       3.5043      2.00000
      5      14.4738      0.00000
      6      14.9342      0.00000
      7      26.5850      0.00000
      8      26.6056      0.00000

 k-point   310 :       0.5000    0.0208    0.5000
  band No.  band energies     occupation 
      1      -3.3371      2.00000
      2      -2.6687      2.00000
      3       3.4233      2.00000
      4       3.4736      2.00000
      5      14.4847      0.00000
      6      14.6969      0.00000
      7      26.6718      0.00000
      8      26.6864      0.00000

 k-point   311 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0099      2.00000
      2      -3.0099      2.00000
      3       3.4631      2.00000
      4       3.4631      2.00000
      5      14.5528      0.00000
      6      14.5528      0.00000
      7      26.7204      0.00000
      8      26.7204      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
  9.429  12.521  -0.000  -0.000  -0.000   0.000   0.000   0.000
 12.521  16.625  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -3.661   0.000   0.000   7.171  -0.000  -0.000
 -0.000  -0.000   0.000  -3.661   0.000  -0.000   7.171  -0.000
 -0.000  -0.000   0.000   0.000  -3.661  -0.000  -0.000   7.171
  0.000   0.000   7.171  -0.000  -0.000 -16.141   0.000   0.000
  0.000   0.000  -0.000   7.171  -0.000   0.000 -16.141   0.000
  0.000   0.000  -0.000  -0.000   7.171   0.000   0.000 -16.141
 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        0.813   1.794   0.000   2.607
  2        0.813   1.794   0.000   2.607
------------------------------------------------
tot        1.626   3.588   0.000   5.214
 
    CHARGE:  cpu time    0.0110: real time    0.0110
    FORLOC:  cpu time    0.0000: real time    0.0001
    FORNL :  cpu time    0.0180: real time    0.0178
    STRESS:  cpu time    0.0570: real time    0.0574
    FORCOR:  cpu time    0.0020: real time    0.0018
    FORHAR:  cpu time    0.0000: real time    0.0005
    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    29.07923    29.07923    29.07923
  Ewald    -116.13860  -116.13860  -116.13860     0.00000     0.00000    -0.00000
  Hartree     9.08655     9.08655     9.08655     0.00000     0.00000     0.00000
  E(xc)     -30.46512   -30.46512   -30.46512     0.00000     0.00000     0.00000
  Local     -11.24566   -11.24566   -11.24566     0.00002     0.00002     0.00002
  n-local    -8.04781    -9.24420    -8.65283     0.23620     0.07316     0.30738
  augment    -0.78061    -0.78061    -0.78061    -0.00002    -0.00002    -0.00002
  Kinetic   127.87544   131.48055   132.57072    -2.10768    -1.36852    -3.20462
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.52974     1.52974     1.52974     0.00000     0.00000    -0.00000
  in kB     216.90101   216.90101   216.90101     0.00000     0.00000    -0.00000
  external pressure =      216.90 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  1.781062352  1.781062352    -0.280731328  0.280731328  0.280731328
     1.781062352  0.000000000  1.781062352     0.280731328 -0.280731328  0.280731328
     1.781062352  1.781062352  0.000000000     0.280731328  0.280731328 -0.280731328

  length of vectors
     2.518802534  2.518802534  2.518802534     0.486240924  0.486240924  0.486240924


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.494E-06 -.494E-06 -.113E-06   -.208E-14 0.135E-14 0.211E-14   0.139E-16 0.104E-16 0.954E-17   -.177E-08 -.177E-08 -.177E-08
   0.494E-06 0.494E-06 0.113E-06   0.268E-14 -.121E-14 -.332E-14   -.520E-16 0.104E-16 0.867E-17   0.177E-08 0.177E-08 0.177E-08
 -----------------------------------------------------------------------------------------------
   0.431E-13 0.589E-13 0.533E-13   0.592E-15 0.149E-15 -.121E-14   -.382E-16 0.208E-16 0.182E-16   -.107E-14 -.123E-14 -.204E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      0.89053      0.89053      0.89053        -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  =       -16.55477912 eV

  energy  without entropy=      -16.55477912  energy(sigma->0) =      -16.55477912
 


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


    POTLOK:  cpu time    0.0040: real time    0.0031


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


     LOOP+:  cpu time    2.1247: real time    2.1695
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.813   1.794   0.000   2.607
  2        0.813   1.794   0.000   2.607
------------------------------------------------
tot        1.626   3.588   0.000   5.214
 

 total amount of memory used by VASP on root node    31325. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :        478. kBytes
   fftplans  :         85. kBytes
   grid      :        123. kBytes
   one-center:          3. kBytes
   wavefun   :        636. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):        3.431
                            User time (sec):        3.142
                          System time (sec):        0.290
                         Elapsed time (sec):        4.805
  
                   Maximum memory used (kb):      147088.
                   Average memory used (kb):           0.
  
                          Minor page faults:        26067
                          Major page faults:            0
                 Voluntary context switches:         2173
