 vasp.6.6.1 17Jul2026 (build Sep 20 2026 13:36:06) complex                       
 executed on              LinuxNV date 2026.10.25  10:38:19
 running    1 mpi-ranks, with    1 threads/rank, on    1 nodes
 distrk:  each k-point on    1 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    1 groups
 Offloading initialized ...    1 GPUs detected


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


 INCAR:
   SYSTEM = cu-primitive-mesh21
   ENCUT = 550
   PREC = Accurate
   EDIFF = 1E-6
   EDIFFG = -0.02
   IBRION = -1
   NSW = 0
   ISIF = 2
   ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
   LASPH = .TRUE.
   LWAVE = .FALSE.
   LCHARG = .FALSE.
   NELM = 150
   ALGO = Normal
   ISYM = 2
   LORBIT = 11
   NEDOS = 2001
   NBANDS = 16

 POTCAR:    PAW_PBE Cu 22Jun2005                  
 POTCAR:    PAW_PBE Cu 22Jun2005                  
   SHA256 =  0e71e558f37a4e8407882b4609ceaae59938afaad9ced71dfe8490308a0ab630 Cu/POTCAR             
   COPYR  = (c) Copyright 22Jun2005 Georg Kresse                                                    
   COPYR  = This file is part of the software VASP. Any use, copying, and all other rights are regul
   COPYR  = If you do not have a valid VASP license, you may not use, copy or distribute this file. 
   VRHFIN =Cu: d10 p1                                                                               
   LEXCH  = PE                                                                                      
   EATOM  =  1390.9808 eV,  102.2342 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Cu 22Jun2005                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    2.000    partial core radius                                                         
   POMASS =   63.546; ZVAL   =   11.000    mass and valenz                                          
   RCORE  =    2.300    outmost cutoff radius                                                       
   RWIGS  =    2.200; RWIGS  =    1.164    wigner-seitz radius (au A)                               
   ENMAX  =  295.446; ENMIN  =  221.585 eV                                                          
   ICORE  =        3    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  586.980                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    2.344    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    2.302    radius for radial grids                                                     
   RDEPT  =    1.771    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    9 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -8850.2468   2.0000                                                             
     2  0  0.50     -1062.3498   2.0000                                                             
     2  1  1.50      -916.8226   6.0000                                                             
     3  0  0.50      -114.6929   2.0000                                                             
     3  1  1.50       -72.1325   6.0000                                                             
     3  2  2.50        -5.0394  10.0000                                                             
     4  0  0.50        -4.6097   1.0000                                                             
     4  1  0.50        -4.0817   0.0000                                                             
     4  3  2.50        -1.3606   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     2     -5.0393973     23  2.200                                                                 
     2     10.8846608     23  2.200                                                                 
     0     -4.6097109     23  2.200                                                                 
     0      8.2520465     23  2.200                                                                 
     1     -2.7211652     23  2.200                                                                 
     1     21.7055443     23  2.200                                                                 
     3      2.7211652     23  2.300                                                                 
  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=            2  read in
    real space projection operators read in
  non local Contribution for L=            2  read in
    real space projection operators read in
  non local Contribution for L=            0  read in
    real space projection operators read in
  non local Contribution for L=            0  read in
    real space projection operators read in
  non local Contribution for L=            1  read in
    real space projection operators read in
  non local Contribution for L=            1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =            6
   number of lm-projection operators is LMMAX =           18
 
  PAW_PBE Cu 22Jun2005                  :
 energy of atom  1       EATOM=-1390.9808
 kinetic energy error for atom=    0.0036 (will be added to EATOM!!)
 
 
 POSCAR: Cu
  positions in direct lattice
  No initial velocities read in


 exchange-correlation table for PE
   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-
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     3.6350223440
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   1.8175111720,   1.8175111720)
 A2 = (   1.8175111720,   0.0000000000,   1.8175111720)
 A3 = (   1.8175111720,   1.8175111720,   0.0000000000)


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

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


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


The static configuration has the point symmetry O_h .


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

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


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


The dynamic configuration has the point symmetry O_h .


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


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

                                     Primitive cell                                     

  volume of cell :      12.0077

  direct lattice vectors                    reciprocal lattice vectors
     0.000000000  1.817511172  1.817511172    -0.275101473  0.275101473  0.275101473
     1.817511172  0.000000000  1.817511172     0.275101473 -0.275101473  0.275101473
     1.817511172  1.817511172  0.000000000     0.275101473  0.275101473 -0.275101473

  length of vectors
     2.570348949  2.570348949  2.570348949     0.476489728  0.476489728  0.476489728

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

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1

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

 
 
 KPOINTS: Gamma mesh                              

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   21   21   21

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
    -0.013100070  0.013100070  0.013100070     0.047619048 -0.000000000 -0.000000000
     0.013100070 -0.013100070  0.013100070    -0.000000000  0.047619048  0.000000000
     0.013100070  0.013100070 -0.013100070     0.000000000  0.000000000  0.047619048

  Length of vectors
     0.022689987  0.022689987  0.022689987

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    286 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.047619  0.000000  0.000000      8.000000
  0.095238  0.000000  0.000000      8.000000
  0.142857  0.000000  0.000000      8.000000
  0.190476  0.000000  0.000000      8.000000
  0.238095  0.000000  0.000000      8.000000
  0.285714  0.000000  0.000000      8.000000
  0.333333  0.000000  0.000000      8.000000
  0.380952  0.000000  0.000000      8.000000
  0.428571  0.000000  0.000000      8.000000
  0.476190  0.000000  0.000000      8.000000
  0.047619  0.047619  0.000000      6.000000
  0.095238  0.047619  0.000000     24.000000
  0.142857  0.047619  0.000000     24.000000
  0.190476  0.047619  0.000000     24.000000
  0.238095  0.047619  0.000000     24.000000
  0.285714  0.047619  0.000000     24.000000
  0.333333  0.047619  0.000000     24.000000
  0.380952  0.047619  0.000000     24.000000
  0.428571  0.047619  0.000000     24.000000
  0.476190  0.047619  0.000000     24.000000
 -0.476190  0.047619  0.000000     24.000000
 -0.428571  0.047619  0.000000     24.000000
 -0.380952  0.047619  0.000000     24.000000
 -0.333333  0.047619  0.000000     24.000000
 -0.285714  0.047619  0.000000     24.000000
 -0.238095  0.047619  0.000000     24.000000
 -0.190476  0.047619  0.000000     24.000000
 -0.142857  0.047619  0.000000     24.000000
 -0.095238  0.047619  0.000000     24.000000
 -0.047619  0.047619  0.000000     12.000000
  0.095238  0.095238  0.000000      6.000000
  0.142857  0.095238  0.000000     24.000000
  0.190476  0.095238  0.000000     24.000000
  0.238095  0.095238  0.000000     24.000000
  0.285714  0.095238  0.000000     24.000000
  0.333333  0.095238  0.000000     24.000000
  0.380952  0.095238  0.000000     24.000000
  0.428571  0.095238  0.000000     24.000000
  0.476190  0.095238  0.000000     24.000000
 -0.476190  0.095238  0.000000     24.000000
 -0.428571  0.095238  0.000000     24.000000
 -0.380952  0.095238  0.000000     24.000000
 -0.333333  0.095238  0.000000     24.000000
 -0.285714  0.095238  0.000000     24.000000
 -0.238095  0.095238  0.000000     24.000000
 -0.190476  0.095238  0.000000     24.000000
 -0.142857  0.095238  0.000000     24.000000
 -0.095238  0.095238  0.000000     12.000000
  0.142857  0.142857  0.000000      6.000000
  0.190476  0.142857  0.000000     24.000000
  0.238095  0.142857  0.000000     24.000000
  0.285714  0.142857  0.000000     24.000000
  0.333333  0.142857  0.000000     24.000000
  0.380952  0.142857  0.000000     24.000000
  0.428571  0.142857  0.000000     24.000000
  0.476190  0.142857  0.000000     24.000000
 -0.476190  0.142857  0.000000     24.000000
 -0.428571  0.142857  0.000000     24.000000
 -0.380952  0.142857  0.000000     24.000000
 -0.333333  0.142857  0.000000     24.000000
 -0.285714  0.142857  0.000000     24.000000
 -0.238095  0.142857  0.000000     24.000000
 -0.190476  0.142857  0.000000     24.000000
 -0.142857  0.142857  0.000000     12.000000
  0.190476  0.190476  0.000000      6.000000
  0.238095  0.190476  0.000000     24.000000
  0.285714  0.190476  0.000000     24.000000
  0.333333  0.190476  0.000000     24.000000
  0.380952  0.190476  0.000000     24.000000
  0.428571  0.190476  0.000000     24.000000
  0.476190  0.190476  0.000000     24.000000
 -0.476190  0.190476  0.000000     24.000000
 -0.428571  0.190476  0.000000     24.000000
 -0.380952  0.190476  0.000000     24.000000
 -0.333333  0.190476  0.000000     24.000000
 -0.285714  0.190476  0.000000     24.000000
 -0.238095  0.190476  0.000000     24.000000
 -0.190476  0.190476  0.000000     12.000000
  0.238095  0.238095  0.000000      6.000000
  0.285714  0.238095  0.000000     24.000000
  0.333333  0.238095  0.000000     24.000000
  0.380952  0.238095  0.000000     24.000000
  0.428571  0.238095  0.000000     24.000000
  0.476190  0.238095  0.000000     24.000000
 -0.476190  0.238095  0.000000     24.000000
 -0.428571  0.238095  0.000000     24.000000
 -0.380952  0.238095  0.000000     24.000000
 -0.333333  0.238095  0.000000     24.000000
 -0.285714  0.238095  0.000000     24.000000
 -0.238095  0.238095  0.000000     12.000000
  0.285714  0.285714  0.000000      6.000000
  0.333333  0.285714  0.000000     24.000000
  0.380952  0.285714  0.000000     24.000000
  0.428571  0.285714  0.000000     24.000000
  0.476190  0.285714  0.000000     24.000000
 -0.476190  0.285714  0.000000     24.000000
 -0.428571  0.285714  0.000000     24.000000
 -0.380952  0.285714  0.000000     24.000000
 -0.333333  0.285714  0.000000     24.000000
 -0.285714  0.285714  0.000000     12.000000
  0.333333  0.333333  0.000000      6.000000
  0.380952  0.333333  0.000000     24.000000
  0.428571  0.333333  0.000000     24.000000
  0.476190  0.333333  0.000000     24.000000
 -0.476190  0.333333  0.000000     24.000000
 -0.428571  0.333333  0.000000     24.000000
 -0.380952  0.333333  0.000000     24.000000
 -0.333333  0.333333  0.000000     12.000000
  0.380952  0.380952  0.000000      6.000000
  0.428571  0.380952  0.000000     24.000000
  0.476190  0.380952  0.000000     24.000000
 -0.476190  0.380952  0.000000     24.000000
 -0.428571  0.380952  0.000000     24.000000
 -0.380952  0.380952  0.000000     12.000000
  0.428571  0.428571  0.000000      6.000000
  0.476190  0.428571  0.000000     24.000000
 -0.476190  0.428571  0.000000     24.000000
 -0.428571  0.428571  0.000000     12.000000
  0.476190  0.476190  0.000000      6.000000
 -0.476190  0.476190  0.000000     12.000000
  0.142857  0.095238  0.047619     24.000000
  0.190476  0.095238  0.047619     48.000000
  0.238095  0.095238  0.047619     48.000000
  0.285714  0.095238  0.047619     48.000000
  0.333333  0.095238  0.047619     48.000000
  0.380952  0.095238  0.047619     48.000000
  0.428571  0.095238  0.047619     48.000000
  0.476190  0.095238  0.047619     48.000000
 -0.476190  0.095238  0.047619     48.000000
  0.190476  0.142857  0.047619     24.000000
  0.238095  0.142857  0.047619     48.000000
  0.285714  0.142857  0.047619     48.000000
  0.333333  0.142857  0.047619     48.000000
  0.380952  0.142857  0.047619     48.000000
  0.428571  0.142857  0.047619     48.000000
  0.476190  0.142857  0.047619     48.000000
 -0.476190  0.142857  0.047619     48.000000
 -0.428571  0.142857  0.047619     48.000000
 -0.380952  0.142857  0.047619     48.000000
 -0.333333  0.142857  0.047619     48.000000
 -0.285714  0.142857  0.047619     48.000000
 -0.238095  0.142857  0.047619     48.000000
 -0.190476  0.142857  0.047619     48.000000
 -0.142857  0.142857  0.047619     48.000000
 -0.095238  0.142857  0.047619     24.000000
  0.238095  0.190476  0.047619     24.000000
  0.285714  0.190476  0.047619     48.000000
  0.333333  0.190476  0.047619     48.000000
  0.380952  0.190476  0.047619     48.000000
  0.428571  0.190476  0.047619     48.000000
  0.476190  0.190476  0.047619     48.000000
 -0.476190  0.190476  0.047619     48.000000
 -0.428571  0.190476  0.047619     48.000000
 -0.380952  0.190476  0.047619     48.000000
 -0.333333  0.190476  0.047619     48.000000
 -0.285714  0.190476  0.047619     48.000000
 -0.238095  0.190476  0.047619     48.000000
 -0.190476  0.190476  0.047619     48.000000
 -0.142857  0.190476  0.047619     24.000000
  0.285714  0.238095  0.047619     24.000000
  0.333333  0.238095  0.047619     48.000000
  0.380952  0.238095  0.047619     48.000000
  0.428571  0.238095  0.047619     48.000000
  0.476190  0.238095  0.047619     48.000000
 -0.476190  0.238095  0.047619     48.000000
 -0.428571  0.238095  0.047619     48.000000
 -0.380952  0.238095  0.047619     48.000000
 -0.333333  0.238095  0.047619     48.000000
 -0.285714  0.238095  0.047619     48.000000
 -0.238095  0.238095  0.047619     48.000000
 -0.190476  0.238095  0.047619     24.000000
  0.333333  0.285714  0.047619     24.000000
  0.380952  0.285714  0.047619     48.000000
  0.428571  0.285714  0.047619     48.000000
  0.476190  0.285714  0.047619     48.000000
 -0.476190  0.285714  0.047619     48.000000
 -0.428571  0.285714  0.047619     48.000000
 -0.380952  0.285714  0.047619     48.000000
 -0.333333  0.285714  0.047619     48.000000
 -0.285714  0.285714  0.047619     48.000000
 -0.238095  0.285714  0.047619     24.000000
  0.380952  0.333333  0.047619     24.000000
  0.428571  0.333333  0.047619     48.000000
  0.476190  0.333333  0.047619     48.000000
 -0.476190  0.333333  0.047619     48.000000
 -0.428571  0.333333  0.047619     48.000000
 -0.380952  0.333333  0.047619     48.000000
 -0.333333  0.333333  0.047619     48.000000
 -0.285714  0.333333  0.047619     24.000000
  0.428571  0.380952  0.047619     24.000000
  0.476190  0.380952  0.047619     48.000000
 -0.476190  0.380952  0.047619     48.000000
 -0.428571  0.380952  0.047619     48.000000
 -0.380952  0.380952  0.047619     48.000000
 -0.333333  0.380952  0.047619     24.000000
  0.476190  0.428571  0.047619     24.000000
 -0.476190  0.428571  0.047619     48.000000
 -0.428571  0.428571  0.047619     48.000000
 -0.380952  0.428571  0.047619     24.000000
 -0.476190  0.476190  0.047619     24.000000
 -0.428571  0.476190  0.047619     24.000000
  0.285714  0.190476  0.095238     24.000000
  0.333333  0.190476  0.095238     48.000000
  0.380952  0.190476  0.095238     48.000000
  0.428571  0.190476  0.095238     48.000000
  0.476190  0.190476  0.095238     48.000000
 -0.476190  0.190476  0.095238     48.000000
 -0.428571  0.190476  0.095238     48.000000
  0.333333  0.238095  0.095238     24.000000
  0.380952  0.238095  0.095238     48.000000
  0.428571  0.238095  0.095238     48.000000
  0.476190  0.238095  0.095238     48.000000
 -0.476190  0.238095  0.095238     48.000000
 -0.428571  0.238095  0.095238     48.000000
 -0.380952  0.238095  0.095238     48.000000
 -0.333333  0.238095  0.095238     48.000000
 -0.285714  0.238095  0.095238     48.000000
 -0.238095  0.238095  0.095238     48.000000
 -0.190476  0.238095  0.095238     48.000000
 -0.142857  0.238095  0.095238     24.000000
  0.380952  0.285714  0.095238     24.000000
  0.428571  0.285714  0.095238     48.000000
  0.476190  0.285714  0.095238     48.000000
 -0.476190  0.285714  0.095238     48.000000
 -0.428571  0.285714  0.095238     48.000000
 -0.380952  0.285714  0.095238     48.000000
 -0.333333  0.285714  0.095238     48.000000
 -0.285714  0.285714  0.095238     48.000000
 -0.238095  0.285714  0.095238     48.000000
 -0.190476  0.285714  0.095238     24.000000
  0.428571  0.333333  0.095238     24.000000
  0.476190  0.333333  0.095238     48.000000
 -0.476190  0.333333  0.095238     48.000000
 -0.428571  0.333333  0.095238     48.000000
 -0.380952  0.333333  0.095238     48.000000
 -0.333333  0.333333  0.095238     48.000000
 -0.285714  0.333333  0.095238     48.000000
 -0.238095  0.333333  0.095238     24.000000
  0.476190  0.380952  0.095238     24.000000
 -0.476190  0.380952  0.095238     48.000000
 -0.428571  0.380952  0.095238     48.000000
 -0.380952  0.380952  0.095238     48.000000
 -0.333333  0.380952  0.095238     48.000000
 -0.285714  0.380952  0.095238     24.000000
 -0.476190  0.428571  0.095238     24.000000
 -0.428571  0.428571  0.095238     48.000000
 -0.380952  0.428571  0.095238     48.000000
 -0.333333  0.428571  0.095238     24.000000
 -0.428571  0.476190  0.095238     24.000000
 -0.380952  0.476190  0.095238     24.000000
  0.428571  0.285714  0.142857     24.000000
  0.476190  0.285714  0.142857     48.000000
 -0.476190  0.285714  0.142857     48.000000
 -0.428571  0.285714  0.142857     48.000000
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 -0.285714  0.476190  0.190476     24.000000
 -0.285714  0.476190  0.238095     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
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 -0.065500  0.065500  0.065500      8.000000
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 -0.091700  0.091700  0.091700      8.000000
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  0.000000  0.000000  0.026200      6.000000
 -0.013100  0.013100  0.039300     24.000000
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    286   k-points in BZ     NKDIM =    286   number of bands    NBANDS=     16
   number of dos      NEDOS =   2001   number of ions     NIONS =      1
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =   8000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  19495
   dimension x,y,z NGX =    20 NGY =   20 NGZ =   20
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=   40
   support grid    NGXF=    40 NGYF=   40 NGZF=   40
   ions per type =               1
   NGX,Y,Z   is equivalent  to a cutoff of  12.94, 12.94, 12.94 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  25.87, 25.87, 25.87 a.u.

 SYSTEM =  cu-primitive-mesh21                     
 POSCAR =  Cu                                      

 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 =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  550.0 eV  40.42 Ry    6.36 a.u.   4.92  4.92  4.92*2*pi/ulx,y,z
   ENINI  =  550.0     initial cutoff
   ENAUG  =  587.0 eV  augmentation charge cutoff
   NELM   =    150;   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

 Ewald summation
   EWALD_CUTOFF =   4.00

 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  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   MAXDIS =   0.00    maximum displacement; if above reset density
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.151E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  63.55
  Ionic Valenz
   ZVAL   =  11.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      11.0000    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;   METHOD = LEGACY      
   ISMEAR =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus
   EFERMI_NEDOS =   21; number of points for ismear=-14 and -15

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   LROBUST=      F    robust break criterion during scf (extrapolated energy error)
   ISEARCH=      0    line search for conjugate gradient (0, 1=use gradient)
   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 =  0.16E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      12.01        81.03
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.589957  3.004583 34.395017  2.527962
  Thomas-Fermi vector in A             =   2.688726
 
 Write flags
   LH5          =      F    write vaspwave.h5 (instead of legacy files WAVECAR, CHGCAR, etc.)
   LWAVE        =      F    write Kohn-Sham orbitals (WAVECAR/vaspwave.h5)
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write restart densities (CHGCAR/vaspwave.h5)
   LCHARGH5     =      F    write charge density to vaspwave.h5
   LTAU         =      F    evaluate kinetic energy density (TAUCAR/vaspwave.h5)
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   WRT_POTENTIAL= None    ! write potential to vaspout.h5
   WRT_DENSITY  = None    ! write densities to vaspout.h5
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Python interface
   PLUGINS active      =      F    recompile with -DPLUGINS to activate
 
 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
   LVACPOTAV  =      F  vacuum potentials using an averaging scheme for the charge density
   VACPOTFLAT =  0.1000000 required flatness to determine vacuum potential
 
Coulomb truncation method
  LTRUNCATE          =      F  Coulomb kernel truncation to be used

 
 Exchange correlation treatment:
   GGA     = PE    functional components
   XC_C    = 1    coefficients multiplying the functional components
   LIBXC   =     F    Libxc                    
   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
   BEXX    =    1.0000 short-range exact exchange contribution

 Parameters of functionals:
   PE:
     No parameter
 
 Van der Waals corrections
   IVDW    =     0    specifies the selected vdW correction

 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
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field
   LZORA     =     F  scalar relativistic for chemical shift
   LSOSHIFT  =     F  spin-orbit for chemical shift
   LBONE     =     F  B-component reconstruction in AE one-centre
   LVGVCALC  =     T  calculate vGv susceptibility
   LVGVAPPL  =     F  apply vGv susceptibility instead of pGv for G=0

 Random number generation:
   RANDOM_GENERATOR = DEFAULT
   PCG_SEED         = not used


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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            10
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


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


  energy-cutoff  :      550.00
  volume of cell :       12.01
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.817511172  1.817511172    -0.275101473  0.275101473  0.275101473
     1.817511172  0.000000000  1.817511172     0.275101473 -0.275101473  0.275101473
     1.817511172  1.817511172  0.000000000     0.275101473  0.275101473 -0.275101473

  length of vectors
     2.570348949  2.570348949  2.570348949     0.476489728  0.476489728  0.476489728


 
 k-points in units of 2pi/SCALE and weight: Gamma mesh                              
   0.00000000  0.00000000  0.00000000       0.000
  -0.01310007  0.01310007  0.01310007       0.001
  -0.02620014  0.02620014  0.02620014       0.001
  -0.03930021  0.03930021  0.03930021       0.001
  -0.05240028  0.05240028  0.05240028       0.001
  -0.06550035  0.06550035  0.06550035       0.001
  -0.07860042  0.07860042  0.07860042       0.001
  -0.09170049  0.09170049  0.09170049       0.001
  -0.10480056  0.10480056  0.10480056       0.001
  -0.11790063  0.11790063  0.11790063       0.001
  -0.13100070  0.13100070  0.13100070       0.001
   0.00000000  0.00000000  0.02620014       0.001
  -0.01310007  0.01310007  0.03930021       0.003
  -0.02620014  0.02620014  0.05240028       0.003
  -0.03930021  0.03930021  0.06550035       0.003
  -0.05240028  0.05240028  0.07860042       0.003
  -0.06550035  0.06550035  0.09170049       0.003
  -0.07860042  0.07860042  0.10480056       0.003
  -0.09170049  0.09170049  0.11790063       0.003
  -0.10480056  0.10480056  0.13100070       0.003
  -0.11790063  0.11790063  0.14410077       0.003
   0.14410077 -0.14410077 -0.11790063       0.003
   0.13100070 -0.13100070 -0.10480056       0.003
   0.11790063 -0.11790063 -0.09170049       0.003
   0.10480056 -0.10480056 -0.07860042       0.003
   0.09170049 -0.09170049 -0.06550035       0.003
   0.07860042 -0.07860042 -0.05240028       0.003
   0.06550035 -0.06550035 -0.03930021       0.003
   0.05240028 -0.05240028 -0.02620014       0.003
   0.03930021 -0.03930021 -0.01310007       0.003
   0.02620014 -0.02620014  0.00000000       0.001
   0.00000000  0.00000000  0.05240028       0.001
  -0.01310007  0.01310007  0.06550035       0.003
  -0.02620014  0.02620014  0.07860042       0.003
  -0.03930021  0.03930021  0.09170049       0.003
  -0.05240028  0.05240028  0.10480056       0.003
  -0.06550035  0.06550035  0.11790063       0.003
  -0.07860042  0.07860042  0.13100070       0.003
  -0.09170049  0.09170049  0.14410077       0.003
  -0.10480056  0.10480056  0.15720084       0.003
   0.15720084 -0.15720084 -0.10480056       0.003
   0.14410077 -0.14410077 -0.09170049       0.003
   0.13100070 -0.13100070 -0.07860042       0.003
   0.11790063 -0.11790063 -0.06550035       0.003
   0.10480056 -0.10480056 -0.05240028       0.003
   0.09170049 -0.09170049 -0.03930021       0.003
   0.07860042 -0.07860042 -0.02620014       0.003
   0.06550035 -0.06550035 -0.01310007       0.003
   0.05240028 -0.05240028  0.00000000       0.001
   0.00000000  0.00000000  0.07860042       0.001
  -0.01310007  0.01310007  0.09170049       0.003
  -0.02620014  0.02620014  0.10480056       0.003
  -0.03930021  0.03930021  0.11790063       0.003
  -0.05240028  0.05240028  0.13100070       0.003
  -0.06550035  0.06550035  0.14410077       0.003
  -0.07860042  0.07860042  0.15720084       0.003
  -0.09170049  0.09170049  0.17030091       0.003
   0.17030091 -0.17030091 -0.09170049       0.003
   0.15720084 -0.15720084 -0.07860042       0.003
   0.14410077 -0.14410077 -0.06550035       0.003
   0.13100070 -0.13100070 -0.05240028       0.003
   0.11790063 -0.11790063 -0.03930021       0.003
   0.10480056 -0.10480056 -0.02620014       0.003
   0.09170049 -0.09170049 -0.01310007       0.003
   0.07860042 -0.07860042  0.00000000       0.001
   0.00000000  0.00000000  0.10480056       0.001
  -0.01310007  0.01310007  0.11790063       0.003
  -0.02620014  0.02620014  0.13100070       0.003
  -0.03930021  0.03930021  0.14410077       0.003
  -0.05240028  0.05240028  0.15720084       0.003
  -0.06550035  0.06550035  0.17030091       0.003
  -0.07860042  0.07860042  0.18340098       0.003
   0.18340098 -0.18340098 -0.07860042       0.003
   0.17030091 -0.17030091 -0.06550035       0.003
   0.15720084 -0.15720084 -0.05240028       0.003
   0.14410077 -0.14410077 -0.03930021       0.003
   0.13100070 -0.13100070 -0.02620014       0.003
   0.11790063 -0.11790063 -0.01310007       0.003
   0.10480056 -0.10480056  0.00000000       0.001
   0.00000000  0.00000000  0.13100070       0.001
  -0.01310007  0.01310007  0.14410077       0.003
  -0.02620014  0.02620014  0.15720084       0.003
  -0.03930021  0.03930021  0.17030091       0.003
  -0.05240028  0.05240028  0.18340098       0.003
  -0.06550035  0.06550035  0.19650105       0.003
   0.19650105 -0.19650105 -0.06550035       0.003
   0.18340098 -0.18340098 -0.05240028       0.003
   0.17030091 -0.17030091 -0.03930021       0.003
   0.15720084 -0.15720084 -0.02620014       0.003
   0.14410077 -0.14410077 -0.01310007       0.003
   0.13100070 -0.13100070  0.00000000       0.001
   0.00000000  0.00000000  0.15720084       0.001
  -0.01310007  0.01310007  0.17030091       0.003
  -0.02620014  0.02620014  0.18340098       0.003
  -0.03930021  0.03930021  0.19650105       0.003
  -0.05240028  0.05240028  0.20960112       0.003
   0.20960112 -0.20960112 -0.05240028       0.003
   0.19650105 -0.19650105 -0.03930021       0.003
   0.18340098 -0.18340098 -0.02620014       0.003
   0.17030091 -0.17030091 -0.01310007       0.003
   0.15720084 -0.15720084  0.00000000       0.001
   0.00000000  0.00000000  0.18340098       0.001
  -0.01310007  0.01310007  0.19650105       0.003
  -0.02620014  0.02620014  0.20960112       0.003
  -0.03930021  0.03930021  0.22270119       0.003
   0.22270119 -0.22270119 -0.03930021       0.003
   0.20960112 -0.20960112 -0.02620014       0.003
   0.19650105 -0.19650105 -0.01310007       0.003
   0.18340098 -0.18340098  0.00000000       0.001
   0.00000000  0.00000000  0.20960112       0.001
  -0.01310007  0.01310007  0.22270119       0.003
  -0.02620014  0.02620014  0.23580126       0.003
   0.23580126 -0.23580126 -0.02620014       0.003
   0.22270119 -0.22270119 -0.01310007       0.003
   0.20960112 -0.20960112  0.00000000       0.001
   0.00000000  0.00000000  0.23580126       0.001
  -0.01310007  0.01310007  0.24890133       0.003
   0.24890133 -0.24890133 -0.01310007       0.003
   0.23580126 -0.23580126  0.00000000       0.001
   0.00000000  0.00000000  0.26200140       0.001
   0.26200140 -0.26200140  0.00000000       0.001
   0.00000000  0.02620014  0.05240028       0.003
  -0.01310007  0.03930021  0.06550035       0.005
  -0.02620014  0.05240028  0.07860042       0.005
  -0.03930021  0.06550035  0.09170049       0.005
  -0.05240028  0.07860042  0.10480056       0.005
  -0.06550035  0.09170049  0.11790063       0.005
  -0.07860042  0.10480056  0.13100070       0.005
  -0.09170049  0.11790063  0.14410077       0.005
   0.17030091 -0.14410077 -0.11790063       0.005
   0.00000000  0.02620014  0.07860042       0.003
  -0.01310007  0.03930021  0.09170049       0.005
  -0.02620014  0.05240028  0.10480056       0.005
  -0.03930021  0.06550035  0.11790063       0.005
  -0.05240028  0.07860042  0.13100070       0.005
  -0.06550035  0.09170049  0.14410077       0.005
  -0.07860042  0.10480056  0.15720084       0.005
   0.18340098 -0.15720084 -0.10480056       0.005
   0.17030091 -0.14410077 -0.09170049       0.005
   0.15720084 -0.13100070 -0.07860042       0.005
   0.14410077 -0.11790063 -0.06550035       0.005
   0.13100070 -0.10480056 -0.05240028       0.005
   0.11790063 -0.09170049 -0.03930021       0.005
   0.10480056 -0.07860042 -0.02620014       0.005
   0.09170049 -0.06550035 -0.01310007       0.005
   0.07860042 -0.05240028  0.00000000       0.003
   0.00000000  0.02620014  0.10480056       0.003
  -0.01310007  0.03930021  0.11790063       0.005
  -0.02620014  0.05240028  0.13100070       0.005
  -0.03930021  0.06550035  0.14410077       0.005
  -0.05240028  0.07860042  0.15720084       0.005
  -0.06550035  0.09170049  0.17030091       0.005
   0.19650105 -0.17030091 -0.09170049       0.005
   0.18340098 -0.15720084 -0.07860042       0.005
   0.17030091 -0.14410077 -0.06550035       0.005
   0.15720084 -0.13100070 -0.05240028       0.005
   0.14410077 -0.11790063 -0.03930021       0.005
   0.13100070 -0.10480056 -0.02620014       0.005
   0.11790063 -0.09170049 -0.01310007       0.005
   0.10480056 -0.07860042 -0.00000000       0.003
   0.00000000  0.02620014  0.13100070       0.003
  -0.01310007  0.03930021  0.14410077       0.005
  -0.02620014  0.05240028  0.15720084       0.005
  -0.03930021  0.06550035  0.17030091       0.005
  -0.05240028  0.07860042  0.18340098       0.005
   0.20960112 -0.18340098 -0.07860042       0.005
   0.19650105 -0.17030091 -0.06550035       0.005
   0.18340098 -0.15720084 -0.05240028       0.005
   0.17030091 -0.14410077 -0.03930021       0.005
   0.15720084 -0.13100070 -0.02620014       0.005
   0.14410077 -0.11790063 -0.01310007       0.005
   0.13100070 -0.10480056  0.00000000       0.003
   0.00000000  0.02620014  0.15720084       0.003
  -0.01310007  0.03930021  0.17030091       0.005
  -0.02620014  0.05240028  0.18340098       0.005
  -0.03930021  0.06550035  0.19650105       0.005
   0.22270119 -0.19650105 -0.06550035       0.005
   0.20960112 -0.18340098 -0.05240028       0.005
   0.19650105 -0.17030091 -0.03930021       0.005
   0.18340098 -0.15720084 -0.02620014       0.005
   0.17030091 -0.14410077 -0.01310007       0.005
   0.15720084 -0.13100070 -0.00000000       0.003
   0.00000000  0.02620014  0.18340098       0.003
  -0.01310007  0.03930021  0.19650105       0.005
  -0.02620014  0.05240028  0.20960112       0.005
   0.23580126 -0.20960112 -0.05240028       0.005
   0.22270119 -0.19650105 -0.03930021       0.005
   0.20960112 -0.18340098 -0.02620014       0.005
   0.19650105 -0.17030091 -0.01310007       0.005
   0.18340098 -0.15720084  0.00000000       0.003
   0.00000000  0.02620014  0.20960112       0.003
  -0.01310007  0.03930021  0.22270119       0.005
   0.24890133 -0.22270119 -0.03930021       0.005
   0.23580126 -0.20960112 -0.02620014       0.005
   0.22270119 -0.19650105 -0.01310007       0.005
   0.20960112 -0.18340098 -0.00000000       0.003
   0.00000000  0.02620014  0.23580126       0.003
   0.26200140 -0.23580126 -0.02620014       0.005
   0.24890133 -0.22270119 -0.01310007       0.005
   0.23580126 -0.20960112  0.00000000       0.003
   0.27510147 -0.24890133 -0.01310007       0.003
   0.26200140 -0.23580126 -0.00000000       0.003
   0.00000000  0.05240028  0.10480056       0.003
  -0.01310007  0.06550035  0.11790063       0.005
  -0.02620014  0.07860042  0.13100070       0.005
  -0.03930021  0.09170049  0.14410077       0.005
  -0.05240028  0.10480056  0.15720084       0.005
   0.20960112 -0.15720084 -0.10480056       0.005
   0.19650105 -0.14410077 -0.09170049       0.005
   0.00000000  0.05240028  0.13100070       0.003
  -0.01310007  0.06550035  0.14410077       0.005
  -0.02620014  0.07860042  0.15720084       0.005
  -0.03930021  0.09170049  0.17030091       0.005
   0.22270119 -0.17030091 -0.09170049       0.005
   0.20960112 -0.15720084 -0.07860042       0.005
   0.19650105 -0.14410077 -0.06550035       0.005
   0.18340098 -0.13100070 -0.05240028       0.005
   0.17030091 -0.11790063 -0.03930021       0.005
   0.15720084 -0.10480056 -0.02620014       0.005
   0.14410077 -0.09170049 -0.01310007       0.005
   0.13100070 -0.07860042  0.00000000       0.003
   0.00000000  0.05240028  0.15720084       0.003
  -0.01310007  0.06550035  0.17030091       0.005
  -0.02620014  0.07860042  0.18340098       0.005
   0.23580126 -0.18340098 -0.07860042       0.005
   0.22270119 -0.17030091 -0.06550035       0.005
   0.20960112 -0.15720084 -0.05240028       0.005
   0.19650105 -0.14410077 -0.03930021       0.005
   0.18340098 -0.13100070 -0.02620014       0.005
   0.17030091 -0.11790063 -0.01310007       0.005
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 k-points in reciprocal lattice and weights: Gamma mesh                              
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  -0.38095238  0.42857143  0.14285714       0.005
  -0.33333333  0.42857143  0.14285714       0.005
  -0.28571429  0.42857143  0.14285714       0.003
  -0.38095238  0.47619048  0.14285714       0.003
  -0.33333333  0.47619048  0.14285714       0.003
  -0.42857143  0.38095238  0.19047619       0.003
  -0.38095238  0.38095238  0.19047619       0.005
  -0.33333333  0.38095238  0.19047619       0.005
  -0.38095238  0.42857143  0.19047619       0.003
  -0.33333333  0.42857143  0.19047619       0.005
  -0.28571429  0.42857143  0.19047619       0.005
  -0.23809524  0.42857143  0.19047619       0.003
  -0.33333333  0.47619048  0.19047619       0.003
  -0.28571429  0.47619048  0.19047619       0.003
  -0.28571429  0.47619048  0.23809524       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
 


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


 k-point     1 :   0.0000 0.0000 0.0000  plane waves:     339
 k-point     2 :   0.0476 0.0000 0.0000  plane waves:     335
 k-point     3 :   0.0952 0.0000 0.0000  plane waves:     335
 k-point     4 :   0.1429 0.0000 0.0000  plane waves:     338
 k-point     5 :   0.1905 0.0000 0.0000  plane waves:     350
 k-point     6 :   0.2381 0.0000 0.0000  plane waves:     350
 k-point     7 :   0.2857 0.0000 0.0000  plane waves:     350
 k-point     8 :   0.3333 0.0000 0.0000  plane waves:     347
 k-point     9 :   0.3810 0.0000 0.0000  plane waves:     353
 k-point    10 :   0.4286 0.0000 0.0000  plane waves:     353
 k-point    11 :   0.4762 0.0000 0.0000  plane waves:     350
 k-point    12 :   0.0476 0.0476 0.0000  plane waves:     335
 k-point    13 :   0.0952 0.0476 0.0000  plane waves:     335
 k-point    14 :   0.1429 0.0476 0.0000  plane waves:     339
 k-point    15 :   0.1905 0.0476 0.0000  plane waves:     345
 k-point    16 :   0.2381 0.0476 0.0000  plane waves:     350
 k-point    17 :   0.2857 0.0476 0.0000  plane waves:     351
 k-point    18 :   0.3333 0.0476 0.0000  plane waves:     351
 k-point    19 :   0.3810 0.0476 0.0000  plane waves:     355
 k-point    20 :   0.4286 0.0476 0.0000  plane waves:     353
 k-point    21 :   0.4762 0.0476 0.0000  plane waves:     350
 k-point    22 :  -0.4762 0.0476 0.0000  plane waves:     350
 k-point    23 :  -0.4286 0.0476 0.0000  plane waves:     354
 k-point    24 :  -0.3810 0.0476 0.0000  plane waves:     350
 k-point    25 :  -0.3333 0.0476 0.0000  plane waves:     352
 k-point    26 :  -0.2857 0.0476 0.0000  plane waves:     350
 k-point    27 :  -0.2381 0.0476 0.0000  plane waves:     350
 k-point    28 :  -0.1905 0.0476 0.0000  plane waves:     350
 k-point    29 :  -0.1429 0.0476 0.0000  plane waves:     345
 k-point    30 :  -0.0952 0.0476 0.0000  plane waves:     337
 k-point    31 :  -0.0476 0.0476 0.0000  plane waves:     337
 k-point    32 :   0.0952 0.0952 0.0000  plane waves:     335
 k-point    33 :   0.1429 0.0952 0.0000  plane waves:     343
 k-point    34 :   0.1905 0.0952 0.0000  plane waves:     345
 k-point    35 :   0.2381 0.0952 0.0000  plane waves:     349
 k-point    36 :   0.2857 0.0952 0.0000  plane waves:     346
 k-point    37 :   0.3333 0.0952 0.0000  plane waves:     349
 k-point    38 :   0.3810 0.0952 0.0000  plane waves:     351
 k-point    39 :   0.4286 0.0952 0.0000  plane waves:     351
 k-point    40 :   0.4762 0.0952 0.0000  plane waves:     350
 k-point    41 :  -0.4762 0.0952 0.0000  plane waves:     351
 k-point    42 :  -0.4286 0.0952 0.0000  plane waves:     353
 k-point    43 :  -0.3810 0.0952 0.0000  plane waves:     355
 k-point    44 :  -0.3333 0.0952 0.0000  plane waves:     350
 k-point    45 :  -0.2857 0.0952 0.0000  plane waves:     350
 k-point    46 :  -0.2381 0.0952 0.0000  plane waves:     348
 k-point    47 :  -0.1905 0.0952 0.0000  plane waves:     349
 k-point    48 :  -0.1429 0.0952 0.0000  plane waves:     347
 k-point    49 :  -0.0952 0.0952 0.0000  plane waves:     345
 k-point    50 :   0.1429 0.1429 0.0000  plane waves:     347
 k-point    51 :   0.1905 0.1429 0.0000  plane waves:     346
 k-point    52 :   0.2381 0.1429 0.0000  plane waves:     346
 k-point    53 :   0.2857 0.1429 0.0000  plane waves:     350
 k-point    54 :   0.3333 0.1429 0.0000  plane waves:     349
 k-point    55 :   0.3810 0.1429 0.0000  plane waves:     348
 k-point    56 :   0.4286 0.1429 0.0000  plane waves:     349
 k-point    57 :   0.4762 0.1429 0.0000  plane waves:     356
 k-point    58 :  -0.4762 0.1429 0.0000  plane waves:     357
 k-point    59 :  -0.4286 0.1429 0.0000  plane waves:     359
 k-point    60 :  -0.3810 0.1429 0.0000  plane waves:     357
 k-point    61 :  -0.3333 0.1429 0.0000  plane waves:     354
 k-point    62 :  -0.2857 0.1429 0.0000  plane waves:     348
 k-point    63 :  -0.2381 0.1429 0.0000  plane waves:     349
 k-point    64 :  -0.1905 0.1429 0.0000  plane waves:     349
 k-point    65 :  -0.1429 0.1429 0.0000  plane waves:     349
 k-point    66 :   0.1905 0.1905 0.0000  plane waves:     347
 k-point    67 :   0.2381 0.1905 0.0000  plane waves:     349
 k-point    68 :   0.2857 0.1905 0.0000  plane waves:     348
 k-point    69 :   0.3333 0.1905 0.0000  plane waves:     347
 k-point    70 :   0.3810 0.1905 0.0000  plane waves:     349
 k-point    71 :   0.4286 0.1905 0.0000  plane waves:     352
 k-point    72 :   0.4762 0.1905 0.0000  plane waves:     352
 k-point    73 :  -0.4762 0.1905 0.0000  plane waves:     355
 k-point    74 :  -0.4286 0.1905 0.0000  plane waves:     356
 k-point    75 :  -0.3810 0.1905 0.0000  plane waves:     354
 k-point    76 :  -0.3333 0.1905 0.0000  plane waves:     352
 k-point    77 :  -0.2857 0.1905 0.0000  plane waves:     354
 k-point    78 :  -0.2381 0.1905 0.0000  plane waves:     351
 k-point    79 :  -0.1905 0.1905 0.0000  plane waves:     353
 k-point    80 :   0.2381 0.2381 0.0000  plane waves:     347
 k-point    81 :   0.2857 0.2381 0.0000  plane waves:     346
 k-point    82 :   0.3333 0.2381 0.0000  plane waves:     347
 k-point    83 :   0.3810 0.2381 0.0000  plane waves:     345
 k-point    84 :   0.4286 0.2381 0.0000  plane waves:     349
 k-point    85 :   0.4762 0.2381 0.0000  plane waves:     352
 k-point    86 :  -0.4762 0.2381 0.0000  plane waves:     356
 k-point    87 :  -0.4286 0.2381 0.0000  plane waves:     360
 k-point    88 :  -0.3810 0.2381 0.0000  plane waves:     359
 k-point    89 :  -0.3333 0.2381 0.0000  plane waves:     356
 k-point    90 :  -0.2857 0.2381 0.0000  plane waves:     350
 k-point    91 :  -0.2381 0.2381 0.0000  plane waves:     351
 k-point    92 :   0.2857 0.2857 0.0000  plane waves:     347
 k-point    93 :   0.3333 0.2857 0.0000  plane waves:     347
 k-point    94 :   0.3810 0.2857 0.0000  plane waves:     346
 k-point    95 :   0.4286 0.2857 0.0000  plane waves:     340
 k-point    96 :   0.4762 0.2857 0.0000  plane waves:     350
 k-point    97 :  -0.4762 0.2857 0.0000  plane waves:     354
 k-point    98 :  -0.4286 0.2857 0.0000  plane waves:     359
 k-point    99 :  -0.3810 0.2857 0.0000  plane waves:     358
 k-point   100 :  -0.3333 0.2857 0.0000  plane waves:     353
 k-point   101 :  -0.2857 0.2857 0.0000  plane waves:     357
 k-point   102 :   0.3333 0.3333 0.0000  plane waves:     343
 k-point   103 :   0.3810 0.3333 0.0000  plane waves:     347
 k-point   104 :   0.4286 0.3333 0.0000  plane waves:     344
 k-point   105 :   0.4762 0.3333 0.0000  plane waves:     350
 k-point   106 :  -0.4762 0.3333 0.0000  plane waves:     354
 k-point   107 :  -0.4286 0.3333 0.0000  plane waves:     356
 k-point   108 :  -0.3810 0.3333 0.0000  plane waves:     358
 k-point   109 :  -0.3333 0.3333 0.0000  plane waves:     353
 k-point   110 :   0.3810 0.3810 0.0000  plane waves:     351
 k-point   111 :   0.4286 0.3810 0.0000  plane waves:     347
 k-point   112 :   0.4762 0.3810 0.0000  plane waves:     348
 k-point   113 :  -0.4762 0.3810 0.0000  plane waves:     352
 k-point   114 :  -0.4286 0.3810 0.0000  plane waves:     359
 k-point   115 :  -0.3810 0.3810 0.0000  plane waves:     359
 k-point   116 :   0.4286 0.4286 0.0000  plane waves:     351
 k-point   117 :   0.4762 0.4286 0.0000  plane waves:     347
 k-point   118 :  -0.4762 0.4286 0.0000  plane waves:     351
 k-point   119 :  -0.4286 0.4286 0.0000  plane waves:     357
 k-point   120 :   0.4762 0.4762 0.0000  plane waves:     342
 k-point   121 :  -0.4762 0.4762 0.0000  plane waves:     346
 k-point   122 :   0.1429 0.0952 0.0476  plane waves:     339
 k-point   123 :   0.1905 0.0952 0.0476  plane waves:     343
 k-point   124 :   0.2381 0.0952 0.0476  plane waves:     349
 k-point   125 :   0.2857 0.0952 0.0476  plane waves:     349
 k-point   126 :   0.3333 0.0952 0.0476  plane waves:     346
 k-point   127 :   0.3810 0.0952 0.0476  plane waves:     352
 k-point   128 :   0.4286 0.0952 0.0476  plane waves:     353
 k-point   129 :   0.4762 0.0952 0.0476  plane waves:     352
 k-point   130 :  -0.4762 0.0952 0.0476  plane waves:     352
 k-point   131 :   0.1905 0.1429 0.0476  plane waves:     344
 k-point   132 :   0.2381 0.1429 0.0476  plane waves:     345
 k-point   133 :   0.2857 0.1429 0.0476  plane waves:     346
 k-point   134 :   0.3333 0.1429 0.0476  plane waves:     347
 k-point   135 :   0.3810 0.1429 0.0476  plane waves:     349
 k-point   136 :   0.4286 0.1429 0.0476  plane waves:     351
 k-point   137 :   0.4762 0.1429 0.0476  plane waves:     352
 k-point   138 :  -0.4762 0.1429 0.0476  plane waves:     356
 k-point   139 :  -0.4286 0.1429 0.0476  plane waves:     354
 k-point   140 :  -0.3810 0.1429 0.0476  plane waves:     354
 k-point   141 :  -0.3333 0.1429 0.0476  plane waves:     354
 k-point   142 :  -0.2857 0.1429 0.0476  plane waves:     350
 k-point   143 :  -0.2381 0.1429 0.0476  plane waves:     349
 k-point   144 :  -0.1905 0.1429 0.0476  plane waves:     350
 k-point   145 :  -0.1429 0.1429 0.0476  plane waves:     347
 k-point   146 :  -0.0952 0.1429 0.0476  plane waves:     347
 k-point   147 :   0.2381 0.1905 0.0476  plane waves:     347
 k-point   148 :   0.2857 0.1905 0.0476  plane waves:     348
 k-point   149 :   0.3333 0.1905 0.0476  plane waves:     347
 k-point   150 :   0.3810 0.1905 0.0476  plane waves:     347
 k-point   151 :   0.4286 0.1905 0.0476  plane waves:     351
 k-point   152 :   0.4762 0.1905 0.0476  plane waves:     350
 k-point   153 :  -0.4762 0.1905 0.0476  plane waves:     358
 k-point   154 :  -0.4286 0.1905 0.0476  plane waves:     357
 k-point   155 :  -0.3810 0.1905 0.0476  plane waves:     356
 k-point   156 :  -0.3333 0.1905 0.0476  plane waves:     353
 k-point   157 :  -0.2857 0.1905 0.0476  plane waves:     352
 k-point   158 :  -0.2381 0.1905 0.0476  plane waves:     349
 k-point   159 :  -0.1905 0.1905 0.0476  plane waves:     349
 k-point   160 :  -0.1429 0.1905 0.0476  plane waves:     347
 k-point   161 :   0.2857 0.2381 0.0476  plane waves:     346
 k-point   162 :   0.3333 0.2381 0.0476  plane waves:     348
 k-point   163 :   0.3810 0.2381 0.0476  plane waves:     346
 k-point   164 :   0.4286 0.2381 0.0476  plane waves:     346
 k-point   165 :   0.4762 0.2381 0.0476  plane waves:     352
 k-point   166 :  -0.4762 0.2381 0.0476  plane waves:     358
 k-point   167 :  -0.4286 0.2381 0.0476  plane waves:     356
 k-point   168 :  -0.3810 0.2381 0.0476  plane waves:     360
 k-point   169 :  -0.3333 0.2381 0.0476  plane waves:     356
 k-point   170 :  -0.2857 0.2381 0.0476  plane waves:     350
 k-point   171 :  -0.2381 0.2381 0.0476  plane waves:     350
 k-point   172 :  -0.1905 0.2381 0.0476  plane waves:     349
 k-point   173 :   0.3333 0.2857 0.0476  plane waves:     346
 k-point   174 :   0.3810 0.2857 0.0476  plane waves:     347
 k-point   175 :   0.4286 0.2857 0.0476  plane waves:     344
 k-point   176 :   0.4762 0.2857 0.0476  plane waves:     349
 k-point   177 :  -0.4762 0.2857 0.0476  plane waves:     352
 k-point   178 :  -0.4286 0.2857 0.0476  plane waves:     358
 k-point   179 :  -0.3810 0.2857 0.0476  plane waves:     358
 k-point   180 :  -0.3333 0.2857 0.0476  plane waves:     355
 k-point   181 :  -0.2857 0.2857 0.0476  plane waves:     356
 k-point   182 :  -0.2381 0.2857 0.0476  plane waves:     351
 k-point   183 :   0.3810 0.3333 0.0476  plane waves:     346
 k-point   184 :   0.4286 0.3333 0.0476  plane waves:     344
 k-point   185 :   0.4762 0.3333 0.0476  plane waves:     347
 k-point   186 :  -0.4762 0.3333 0.0476  plane waves:     349
 k-point   187 :  -0.4286 0.3333 0.0476  plane waves:     355
 k-point   188 :  -0.3810 0.3333 0.0476  plane waves:     358
 k-point   189 :  -0.3333 0.3333 0.0476  plane waves:     355
 k-point   190 :  -0.2857 0.3333 0.0476  plane waves:     357
 k-point   191 :   0.4286 0.3810 0.0476  plane waves:     345
 k-point   192 :   0.4762 0.3810 0.0476  plane waves:     351
 k-point   193 :  -0.4762 0.3810 0.0476  plane waves:     352
 k-point   194 :  -0.4286 0.3810 0.0476  plane waves:     354
 k-point   195 :  -0.3810 0.3810 0.0476  plane waves:     358
 k-point   196 :  -0.3333 0.3810 0.0476  plane waves:     357
 k-point   197 :   0.4762 0.4286 0.0476  plane waves:     351
 k-point   198 :  -0.4762 0.4286 0.0476  plane waves:     354
 k-point   199 :  -0.4286 0.4286 0.0476  plane waves:     354
 k-point   200 :  -0.3810 0.4286 0.0476  plane waves:     358
 k-point   201 :  -0.4762 0.4762 0.0476  plane waves:     346
 k-point   202 :  -0.4286 0.4762 0.0476  plane waves:     353
 k-point   203 :   0.2857 0.1905 0.0952  plane waves:     349
 k-point   204 :   0.3333 0.1905 0.0952  plane waves:     345
 k-point   205 :   0.3810 0.1905 0.0952  plane waves:     344
 k-point   206 :   0.4286 0.1905 0.0952  plane waves:     351
 k-point   207 :   0.4762 0.1905 0.0952  plane waves:     351
 k-point   208 :  -0.4762 0.1905 0.0952  plane waves:     354
 k-point   209 :  -0.4286 0.1905 0.0952  plane waves:     356
 k-point   210 :   0.3333 0.2381 0.0952  plane waves:     344
 k-point   211 :   0.3810 0.2381 0.0952  plane waves:     344
 k-point   212 :   0.4286 0.2381 0.0952  plane waves:     346
 k-point   213 :   0.4762 0.2381 0.0952  plane waves:     349
 k-point   214 :  -0.4762 0.2381 0.0952  plane waves:     354
 k-point   215 :  -0.4286 0.2381 0.0952  plane waves:     356
 k-point   216 :  -0.3810 0.2381 0.0952  plane waves:     356
 k-point   217 :  -0.3333 0.2381 0.0952  plane waves:     354
 k-point   218 :  -0.2857 0.2381 0.0952  plane waves:     354
 k-point   219 :  -0.2381 0.2381 0.0952  plane waves:     352
 k-point   220 :  -0.1905 0.2381 0.0952  plane waves:     348
 k-point   221 :  -0.1429 0.2381 0.0952  plane waves:     347
 k-point   222 :   0.3810 0.2857 0.0952  plane waves:     350
 k-point   223 :   0.4286 0.2857 0.0952  plane waves:     347
 k-point   224 :   0.4762 0.2857 0.0952  plane waves:     350
 k-point   225 :  -0.4762 0.2857 0.0952  plane waves:     357
 k-point   226 :  -0.4286 0.2857 0.0952  plane waves:     354
 k-point   227 :  -0.3810 0.2857 0.0952  plane waves:     357
 k-point   228 :  -0.3333 0.2857 0.0952  plane waves:     357
 k-point   229 :  -0.2857 0.2857 0.0952  plane waves:     356
 k-point   230 :  -0.2381 0.2857 0.0952  plane waves:     353
 k-point   231 :  -0.1905 0.2857 0.0952  plane waves:     352
 k-point   232 :   0.4286 0.3333 0.0952  plane waves:     345
 k-point   233 :   0.4762 0.3333 0.0952  plane waves:     348
 k-point   234 :  -0.4762 0.3333 0.0952  plane waves:     351
 k-point   235 :  -0.4286 0.3333 0.0952  plane waves:     354
 k-point   236 :  -0.3810 0.3333 0.0952  plane waves:     358
 k-point   237 :  -0.3333 0.3333 0.0952  plane waves:     359
 k-point   238 :  -0.2857 0.3333 0.0952  plane waves:     356
 k-point   239 :  -0.2381 0.3333 0.0952  plane waves:     355
 k-point   240 :   0.4762 0.3810 0.0952  plane waves:     348
 k-point   241 :  -0.4762 0.3810 0.0952  plane waves:     349
 k-point   242 :  -0.4286 0.3810 0.0952  plane waves:     354
 k-point   243 :  -0.3810 0.3810 0.0952  plane waves:     355
 k-point   244 :  -0.3333 0.3810 0.0952  plane waves:     359
 k-point   245 :  -0.2857 0.3810 0.0952  plane waves:     357
 k-point   246 :  -0.4762 0.4286 0.0952  plane waves:     355
 k-point   247 :  -0.4286 0.4286 0.0952  plane waves:     355
 k-point   248 :  -0.3810 0.4286 0.0952  plane waves:     357
 k-point   249 :  -0.3333 0.4286 0.0952  plane waves:     355
 k-point   250 :  -0.4286 0.4762 0.0952  plane waves:     354
 k-point   251 :  -0.3810 0.4762 0.0952  plane waves:     358
 k-point   252 :   0.4286 0.2857 0.1429  plane waves:     345
 k-point   253 :   0.4762 0.2857 0.1429  plane waves:     351
 k-point   254 :  -0.4762 0.2857 0.1429  plane waves:     352
 k-point   255 :  -0.4286 0.2857 0.1429  plane waves:     355
 k-point   256 :  -0.3810 0.2857 0.1429  plane waves:     359
 k-point   257 :   0.4762 0.3333 0.1429  plane waves:     345
 k-point   258 :  -0.4762 0.3333 0.1429  plane waves:     350
 k-point   259 :  -0.4286 0.3333 0.1429  plane waves:     353
 k-point   260 :  -0.3810 0.3333 0.1429  plane waves:     357
 k-point   261 :  -0.3333 0.3333 0.1429  plane waves:     360
 k-point   262 :  -0.2857 0.3333 0.1429  plane waves:     357
 k-point   263 :  -0.2381 0.3333 0.1429  plane waves:     351
 k-point   264 :  -0.1905 0.3333 0.1429  plane waves:     351
 k-point   265 :  -0.4762 0.3810 0.1429  plane waves:     346
 k-point   266 :  -0.4286 0.3810 0.1429  plane waves:     350
 k-point   267 :  -0.3810 0.3810 0.1429  plane waves:     357
 k-point   268 :  -0.3333 0.3810 0.1429  plane waves:     361
 k-point   269 :  -0.2857 0.3810 0.1429  plane waves:     359
 k-point   270 :  -0.2381 0.3810 0.1429  plane waves:     354
 k-point   271 :  -0.4286 0.4286 0.1429  plane waves:     350
 k-point   272 :  -0.3810 0.4286 0.1429  plane waves:     354
 k-point   273 :  -0.3333 0.4286 0.1429  plane waves:     356
 k-point   274 :  -0.2857 0.4286 0.1429  plane waves:     357
 k-point   275 :  -0.3810 0.4762 0.1429  plane waves:     357
 k-point   276 :  -0.3333 0.4762 0.1429  plane waves:     356
 k-point   277 :  -0.4286 0.3810 0.1905  plane waves:     353
 k-point   278 :  -0.3810 0.3810 0.1905  plane waves:     355
 k-point   279 :  -0.3333 0.3810 0.1905  plane waves:     360
 k-point   280 :  -0.3810 0.4286 0.1905  plane waves:     355
 k-point   281 :  -0.3333 0.4286 0.1905  plane waves:     359
 k-point   282 :  -0.2857 0.4286 0.1905  plane waves:     358
 k-point   283 :  -0.2381 0.4286 0.1905  plane waves:     359
 k-point   284 :  -0.3333 0.4762 0.1905  plane waves:     356
 k-point   285 :  -0.2857 0.4762 0.1905  plane waves:     358
 k-point   286 :  -0.2857 0.4762 0.2381  plane waves:     360

 maximum and minimum number of plane-waves per node :       361      335

 maximum number of plane-waves:       361
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    4   IZMAX=    4
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -5


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


 total amount of memory used by VASP MPI-rank0    78420. kBytes
=======================================================================

   base                                    :      30000. kBytes
   nonl-proj                               :      14873. kBytes
   fftplans                                :       2284. kBytes
   grid                                    :       3500. kBytes
   one-center                              :         15. kBytes
   wavefun                                 :      27748. kBytes
 
     INWAV:  cpu time      0.0000: real time      0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ =  9
  (NGX  = 40   NGY  = 40   NGZ  = 40)
  gives a total of    729 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      11.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         18749 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.774
 Maximum number of real-space cells   3x   3x   3
 Maximum number of reciprocal cells   3x   3x   3

    FEWALD:  cpu time      0.0013: real time      0.0013


--------------------------------------- Ionic step        1  -------------------------------------------




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


    POTLOK:  cpu time      0.0373: real time      0.0374
    SETDIJ:  cpu time      0.0939: real time      0.0939
     EDDAV:  cpu time      5.6708: real time      5.6733
       DOS:  cpu time      0.0064: real time      0.0064
    --------------------------------------------
      LOOP:  cpu time      5.8084: real time      5.8110

 eigenvalue-minimisations  : 10528
 total energy-change (2. order) : 0.4537682E+02  (-0.5107441E+03)
 number of electron      11.0000000 magnetization 
 augmentation part       11.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -365.17463856
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        45.73915925
  PAW double counting   =      1228.20665988    -1334.04846713
  entropy T*S    EENTRO =        -0.00073566
  eigenvalues    EBANDS =       117.60324211
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        45.37682036 eV

  energy without entropy =       45.37755602  energy(sigma->0) =       45.37718819


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




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


     EDDAV:  cpu time      5.3198: real time      5.3222
       DOS:  cpu time      0.0077: real time      0.0077
    --------------------------------------------
      LOOP:  cpu time      5.3275: real time      5.3299

 eigenvalue-minimisations  : 10272
 total energy-change (2. order) :-0.4800337E+02  (-0.4359384E+02)
 number of electron      11.0000000 magnetization 
 augmentation part       11.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -365.17463856
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        45.73915925
  PAW double counting   =      1228.20665988    -1334.04846713
  entropy T*S    EENTRO =        -0.00050456
  eigenvalues    EBANDS =        69.59964564
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -2.62654501 eV

  energy without entropy =       -2.62604045  energy(sigma->0) =       -2.62629273


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




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


     EDDAV:  cpu time      5.6943: real time      5.6970
       DOS:  cpu time      0.0079: real time      0.0079
    --------------------------------------------
      LOOP:  cpu time      5.7022: real time      5.7049

 eigenvalue-minimisations  : 11168
 total energy-change (2. order) :-0.1987597E+01  (-0.1970578E+01)
 number of electron      11.0000000 magnetization 
 augmentation part       11.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -365.17463856
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        45.73915925
  PAW double counting   =      1228.20665988    -1334.04846713
  entropy T*S    EENTRO =        -0.00067864
  eigenvalues    EBANDS =        67.61222232
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.61414240 eV

  energy without entropy =       -4.61346376  energy(sigma->0) =       -4.61380308


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




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


     EDDAV:  cpu time      5.5403: real time      5.5429
       DOS:  cpu time      0.0079: real time      0.0079
    --------------------------------------------
      LOOP:  cpu time      5.5482: real time      5.5508

 eigenvalue-minimisations  : 10784
 total energy-change (2. order) :-0.9837640E-02  (-0.9836723E-02)
 number of electron      11.0000000 magnetization 
 augmentation part       11.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -365.17463856
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        45.73915925
  PAW double counting   =      1228.20665988    -1334.04846713
  entropy T*S    EENTRO =        -0.00068528
  eigenvalues    EBANDS =        67.60239133
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.62398004 eV

  energy without entropy =       -4.62329476  energy(sigma->0) =       -4.62363740


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




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


     EDDAV:  cpu time      5.7826: real time      5.7860
       DOS:  cpu time      0.0081: real time      0.0081
    CHARGE:  cpu time      0.3981: real time      0.3984
    MIXING:  cpu time      0.0017: real time      0.0017
    --------------------------------------------
      LOOP:  cpu time      6.1905: real time      6.1941

 eigenvalue-minimisations  : 11376
 total energy-change (2. order) :-0.7226726E-04  (-0.7226648E-04)
 number of electron      10.9999996 magnetization 
 augmentation part        6.4892732 magnetization 

 Broyden mixing:
  rms(total) = 0.76504E+00    rms(broyden)= 0.76502E+00
  rms(prec ) = 0.29086E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -365.17463856
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        45.73915925
  PAW double counting   =      1228.20665988    -1334.04846713
  entropy T*S    EENTRO =        -0.00068534
  eigenvalues    EBANDS =        67.60231911
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.62405231 eV

  energy without entropy =       -4.62336697  energy(sigma->0) =       -4.62370964


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




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


    POTLOK:  cpu time      0.0049: real time      0.0049
    SETDIJ:  cpu time      0.0928: real time      0.0928
     EDDAV:  cpu time      5.9809: real time      5.9835
       DOS:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.3927: real time      0.3931
    MIXING:  cpu time      0.0018: real time      0.0018
    --------------------------------------------
      LOOP:  cpu time      6.4810: real time      6.4841

 eigenvalue-minimisations  : 11944
 total energy-change (2. order) : 0.5066070E+00  (-0.1322101E+01)
 number of electron      10.9999996 magnetization 
 augmentation part        7.3230838 magnetization 

 Broyden mixing:
  rms(total) = 0.40250E+00    rms(broyden)= 0.40248E+00
  rms(prec ) = 0.13921E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6559
  0.6559

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -337.14257338
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.34937318
  PAW double counting   =      1245.03838958    -1345.31302963
  entropy T*S    EENTRO =        -0.00048744
  eigenvalues    EBANDS =        35.89928194
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.11744527 eV

  energy without entropy =       -4.11695783  energy(sigma->0) =       -4.11720155


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




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


    POTLOK:  cpu time      0.0051: real time      0.0053
    SETDIJ:  cpu time      0.0926: real time      0.0926
     EDDAV:  cpu time      5.8890: real time      5.8917
       DOS:  cpu time      0.0079: real time      0.0079
    CHARGE:  cpu time      0.3941: real time      0.3944
    MIXING:  cpu time      0.0020: real time      0.0020
    --------------------------------------------
      LOOP:  cpu time      6.3906: real time      6.3938

 eigenvalue-minimisations  : 11696
 total energy-change (2. order) : 0.3788263E+00  (-0.2112374E+00)
 number of electron      10.9999996 magnetization 
 augmentation part        6.9943164 magnetization 

 Broyden mixing:
  rms(total) = 0.59015E-01    rms(broyden)= 0.59006E-01
  rms(prec ) = 0.24392E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4360
  2.2414  0.6306

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -345.95613487
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.80935949
  PAW double counting   =      1269.20953788    -1374.30654052
  entropy T*S    EENTRO =        -0.00064474
  eigenvalues    EBANDS =        49.45420327
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.73861900 eV

  energy without entropy =       -3.73797426  energy(sigma->0) =       -3.73829663


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




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


    POTLOK:  cpu time      0.0050: real time      0.0050
    SETDIJ:  cpu time      0.0924: real time      0.0924
     EDDAV:  cpu time      5.6004: real time      5.6029
       DOS:  cpu time      0.0079: real time      0.0079
    CHARGE:  cpu time      0.3938: real time      0.3941
    MIXING:  cpu time      0.0018: real time      0.0018
    --------------------------------------------
      LOOP:  cpu time      6.1014: real time      6.1043

 eigenvalue-minimisations  : 11016
 total energy-change (2. order) : 0.1100339E-01  (-0.3805346E-03)
 number of electron      10.9999996 magnetization 
 augmentation part        6.9946095 magnetization 

 Broyden mixing:
  rms(total) = 0.27898E-01    rms(broyden)= 0.27897E-01
  rms(prec ) = 0.10903E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4416
  0.6433  1.0602  2.6214

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -342.85503779
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.68083802
  PAW double counting   =      1306.32913269    -1414.01769221
  entropy T*S    EENTRO =        -0.00065902
  eigenvalues    EBANDS =        49.08420222
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.72761562 eV

  energy without entropy =       -3.72695660  energy(sigma->0) =       -3.72728611


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




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


    POTLOK:  cpu time      0.0050: real time      0.0051
    SETDIJ:  cpu time      0.0926: real time      0.0926
     EDDAV:  cpu time      6.1283: real time      6.1310
       DOS:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.3940: real time      0.3941
    MIXING:  cpu time      0.0018: real time      0.0018
    --------------------------------------------
      LOOP:  cpu time      6.6297: real time      6.6327

 eigenvalue-minimisations  : 12264
 total energy-change (2. order) : 0.1364710E-02  (-0.7855627E-03)
 number of electron      10.9999996 magnetization 
 augmentation part        7.0147602 magnetization 

 Broyden mixing:
  rms(total) = 0.30300E-02    rms(broyden)= 0.30293E-02
  rms(prec ) = 0.10754E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5996
  0.6468  0.9520  2.6045  2.1952

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -341.76851103
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.63093065
  PAW double counting   =      1311.94194336    -1419.83000054
  entropy T*S    EENTRO =        -0.00068245
  eigenvalues    EBANDS =        48.24846862
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.72625090 eV

  energy without entropy =       -3.72556846  energy(sigma->0) =       -3.72590968


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




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


    POTLOK:  cpu time      0.0044: real time      0.0045
    SETDIJ:  cpu time      0.0916: real time      0.0916
     EDDAV:  cpu time      6.4802: real time      6.4837
       DOS:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.3919: real time      0.3922
    MIXING:  cpu time      0.0019: real time      0.0019
    --------------------------------------------
      LOOP:  cpu time      6.9779: real time      6.9819

 eigenvalue-minimisations  : 13392
 total energy-change (2. order) :-0.1035296E-05  (-0.3916213E-05)
 number of electron      10.9999996 magnetization 
 augmentation part        7.0136255 magnetization 

 Broyden mixing:
  rms(total) = 0.73078E-03    rms(broyden)= 0.73076E-03
  rms(prec ) = 0.22638E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5093
  2.6529  2.4416  0.6464  0.9029  0.9029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -341.87536935
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.63608882
  PAW double counting   =      1311.27507798    -1419.10637383
  entropy T*S    EENTRO =        -0.00068183
  eigenvalues    EBANDS =        48.29340579
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.72625194 eV

  energy without entropy =       -3.72557011  energy(sigma->0) =       -3.72591103


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




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


    POTLOK:  cpu time      0.0049: real time      0.0050
    SETDIJ:  cpu time      0.0926: real time      0.0926
     EDDAV:  cpu time      5.0349: real time      5.0371
       DOS:  cpu time      0.0078: real time      0.0078
    --------------------------------------------
      LOOP:  cpu time      5.1402: real time      5.1425

 eigenvalue-minimisations  :  9344
 total energy-change (2. order) : 0.6887753E-06  (-0.4333890E-07)
 number of electron      10.9999996 magnetization 
 augmentation part        7.0136255 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        60.90472133
  Ewald energy   TEWEN  =     -1098.83033000
  -Hartree energ DENC   =      -341.91630192
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        44.63814428
  PAW double counting   =      1310.94848961    -1418.74358718
  entropy T*S    EENTRO =        -0.00068166
  eigenvalues    EBANDS =        48.29608514
  atomic energy  EATOM  =      1390.97720916
  Solvation  Ediel_sol  =         0.00000000
  ext. energy  EPLUGINS =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.72625125 eV

  energy without entropy =       -3.72556959  energy(sigma->0) =       -3.72591042


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




 average (electrostatic) potential at core
  the test charge radii are     0.9430
  (the norm of the test charge is              1.0000)
       1 -63.8725
 
 
 
 E-fermi :   7.4204     XC(G=0): -12.6307     alpha+bet :-13.2034

 val. band max:        7.4169042270   @ k =  -0.4762   0.0952   0.0000
 cond. band min:       7.4228478718   @ k =  -0.3333   0.1905   0.0476
 fundamental gap:      0.0059436448
 Fermi energy:         7.4204287343

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.8442      2.00000
      2       4.3998      2.00000
      3       4.3998      2.00000
      4       4.3998      2.00000
      5       5.2005      2.00000
      6       5.2005      2.00000
      7      29.8428      0.00000
      8      32.3586      0.00000
      9      32.3586      0.00000
     10      32.3586      0.00000
     11      34.8372      0.00000
     12      34.8372      0.00000
     13      34.8372      0.00000
     14      38.6008      0.00000
     15      43.2477      0.00000
     16      43.2477      0.00000

 k-point     2 :       0.0476    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.7625      2.00000
      2       4.3826      2.00000
      3       4.4152      2.00000
      4       4.4152      2.00000
      5       5.1943      2.00000
      6       5.1943      2.00000
      7      29.3894      0.00000
      8      31.2150      0.00000
      9      32.0782      0.00000
     10      32.0782      0.00000
     11      35.2356      0.00000
     12      35.2356      0.00000
     13      35.9891      0.00000
     14      39.0208      0.00000
     15      42.2659      0.00000
     16      42.2660      0.00000

 k-point     3 :       0.0952    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.5192      2.00000
      2       4.3346      2.00000
      3       4.4572      2.00000
      4       4.4572      2.00000
      5       5.1800      2.00000
      6       5.1800      2.00000
      7      27.5095      0.00000
      8      30.5738      0.00000
      9      31.5214      0.00000
     10      31.5214      0.00000
     11      36.1237      0.00000
     12      36.1237      0.00000
     13      36.6969      0.00000
     14      40.7332      0.00000
     15      40.7332      0.00000
     16      40.7473      0.00000

 k-point     4 :       0.1429    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.1206      2.00000
      2       4.2665      2.00000
      3       4.5109      2.00000
      4       4.5109      2.00000
      5       5.1711      2.00000
      6       5.1711      2.00000
      7      25.0855      0.00000
      8      30.3540      0.00000
      9      30.9528      0.00000
     10      30.9528      0.00000
     11      36.7218      0.00000
     12      37.0631      0.00000
     13      37.0631      0.00000
     14      39.4380      0.00000
     15      39.4380      0.00000
     16      42.9402      0.00000

 k-point     5 :       0.1905    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.5800      2.00000
      2       4.1971      2.00000
      3       4.5516      2.00000
      4       4.5516      2.00000
      5       5.1906      2.00000
      6       5.1906      2.00000
      7      22.6384      0.00000
      8      30.1137      0.00000
      9      30.4511      0.00000
     10      30.4511      0.00000
     11      36.6737      0.00000
     12      36.9613      0.00000
     13      36.9613      0.00000
     14      39.4790      0.00000
     15      39.4790      0.00000
     16      44.3793      0.00000

 k-point     6 :       0.2381    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0774      2.00000
      2       4.1562      2.00000
      3       4.5566      2.00000
      4       4.5566      2.00000
      5       5.2575      2.00000
      6       5.2575      2.00000
      7      20.2653      0.00000
      8      29.7934      0.00000
      9      30.0371      0.00000
     10      30.0371      0.00000
     11      35.8842      0.00000
     12      35.8842      0.00000
     13      36.7131      0.00000
     14      40.7928      0.00000
     15      40.7928      0.00000
     16      45.5039      0.00000

 k-point     7 :       0.2857    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.8007      2.00000
      2       4.1955      2.00000
      3       4.5263      2.00000
      4       4.5263      2.00000
      5       5.3662      2.00000
      6       5.3662      2.00000
      7      18.0032      0.00000
      8      29.4191      0.00000
      9      29.7142      0.00000
     10      29.7142      0.00000
     11      34.7831      0.00000
     12      34.7831      0.00000
     13      36.8433      0.00000
     14      42.4340      0.00000
     15      42.4340      0.00000
     16      46.7051      0.00000

 k-point     8 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1       1.4898      2.00000
      2       4.4063      2.00000
      3       4.4782      2.00000
      4       4.4782      2.00000
      5       5.4920      2.00000
      6       5.4920      2.00000
      7      15.8826      0.00000
      8      29.0440      0.00000
      9      29.4792      0.00000
     10      29.4792      0.00000
     11      33.8268      0.00000
     12      33.8268      0.00000
     13      37.0176      0.00000
     14      44.2396      0.00000
     15      44.2396      0.00000
     16      48.0590      0.00000

 k-point     9 :       0.3810    0.0000    0.0000
  band No.  band energies     occupation 
      1       2.0024      2.00000
      2       4.4294      2.00000
      3       4.4294      2.00000
      4       4.9001      2.00000
      5       5.6097      2.00000
      6       5.6097      2.00000
      7      13.9488      0.00000
      8      28.7192      0.00000
      9      29.3242      0.00000
     10      29.3242      0.00000
     11      33.0651      0.00000
     12      33.0651      0.00000
     13      37.1867      0.00000
     14      46.1576      0.00000
     15      46.1576      0.00000
     16      49.5411      0.00000

 k-point    10 :       0.4286    0.0000    0.0000
  band No.  band energies     occupation 
      1       2.2776      2.00000
      2       4.3912      2.00000
      3       4.3912      2.00000
      4       5.6485      2.00000
      5       5.6996      2.00000
      6       5.6996      2.00000
      7      12.3015      0.00000
      8      28.4829      0.00000
      9      29.2364      0.00000
     10      29.2364      0.00000
     11      32.5313      0.00000
     12      32.5313      0.00000
     13      37.3154      0.00000
     14      48.1128      0.00000
     15      48.1128      0.00000
     16      51.0162      0.00000

 k-point    11 :       0.4762    0.0000    0.0000
  band No.  band energies     occupation 
      1       2.3830      2.00000
      2       4.3705      2.00000
      3       4.3705      2.00000
      4       5.7481      2.00000
      5       5.7481      2.00000
      6       6.3164      2.00000
      7      11.2146      0.00000
      8      28.3591      0.00000
      9      29.1991      0.00000
     10      29.1991      0.00000
     11      32.2547      0.00000
     12      32.2547      0.00000
     13      37.3840      0.00000
     14      49.7906      0.00000
     15      49.7906      0.00000
     16      52.0951      0.00000

 k-point    12 :       0.0476    0.0476    0.0000
  band No.  band energies     occupation 
      1      -1.7353      2.00000
      2       4.3679      2.00000
      3       4.4252      2.00000
      4       4.4252      2.00000
      5       5.1717      2.00000
      6       5.2121      2.00000
      7      29.4569      0.00000
      8      31.2590      0.00000
      9      31.2590      0.00000
     10      31.9072      0.00000
     11      35.4545      0.00000
     12      35.9926      0.00000
     13      35.9926      0.00000
     14      38.8159      0.00000
     15      41.3846      0.00000
     16      43.4497      0.00000

 k-point    13 :       0.0952    0.0476    0.0000
  band No.  band energies     occupation 
      1      -1.5459      2.00000
      2       4.3249      2.00000
      3       4.4609      2.00000
      4       4.4633      2.00000
      5       5.1393      2.00000
      6       5.2193      2.00000
      7      28.2718      0.00000
      8      30.2103      0.00000
      9      30.4632      0.00000
     10      32.1762      0.00000
     11      35.4411      0.00000
     12      36.9466      0.00000
     13      37.1203      0.00000
     14      38.9268      0.00000
     15      41.0056      0.00000
     16      42.6283      0.00000

 k-point    14 :       0.1429    0.0476    0.0000
  band No.  band energies     occupation 
      1      -1.1991      2.00000
      2       4.2610      2.00000
      3       4.5126      2.00000
      4       4.5168      2.00000
      5       5.1085      2.00000
      6       5.2260      2.00000
      7      25.9578      0.00000
      8      29.7588      0.00000
      9      29.7793      0.00000
     10      32.6084      0.00000
     11      35.1089      0.00000
     12      37.4086      0.00000
     13      37.9167      0.00000
     14      38.5694      0.00000
     15      41.3635      0.00000
     16      42.6226      0.00000

 k-point    15 :       0.1905    0.0476    0.0000
  band No.  band energies     occupation 
      1      -0.7055      2.00000
      2       4.1888      2.00000
      3       4.5586      2.00000
      4       4.5639      2.00000
      5       5.1047      2.00000
      6       5.2505      2.00000
      7      23.5048      0.00000
      8      29.1663      0.00000
      9      29.4457      0.00000
     10      32.7383      0.00000
     11      34.5766      0.00000
     12      37.4720      0.00000
     13      38.2983      0.00000
     14      38.4438      0.00000
     15      40.8745      0.00000
     16      44.3168      0.00000

 k-point    16 :       0.2381    0.0476    0.0000
  band No.  band energies     occupation 
      1      -0.0854      2.00000
      2       4.1318      2.00000
      3       4.5673      2.00000
      4       4.5821      2.00000
      5       5.1601      2.00000
      6       5.3109      2.00000
      7      21.1025      0.00000
      8      28.6939      0.00000
      9      29.1208      0.00000
     10      32.3237      0.00000
     11      34.1105      0.00000
     12      37.3176      0.00000
     13      37.5339      0.00000
     14      39.2333      0.00000
     15      41.7905      0.00000
     16      45.5190      0.00000

 k-point    17 :       0.2857    0.0476    0.0000
  band No.  band energies     occupation 
      1       0.6209      2.00000
      2       4.1296      2.00000
      3       4.5325      2.00000
      4       4.5647      2.00000
      5       5.2803      2.00000
      6       5.4079      2.00000
      7      18.8000      0.00000
      8      28.3468      0.00000
      9      28.8090      0.00000
     10      31.5241      0.00000
     11      33.7544      0.00000
     12      36.4673      0.00000
     13      37.3115      0.00000
     14      40.5019      0.00000
     15      43.2823      0.00000
     16      46.7466      0.00000

 k-point    18 :       0.3333    0.0476    0.0000
  band No.  band energies     occupation 
      1       1.3320      2.00000
      2       4.2506      2.00000
      3       4.4761      2.00000
      4       4.5236      2.00000
      5       5.4461      2.00000
      6       5.5227      2.00000
      7      16.6270      0.00000
      8      28.1309      0.00000
      9      28.5223      0.00000
     10      30.6422      0.00000
     11      33.4452      0.00000
     12      35.4517      0.00000
     13      37.4395      0.00000
     14      42.0608      0.00000
     15      44.9951      0.00000
     16      48.1167      0.00000

 k-point    19 :       0.3810    0.0476    0.0000
  band No.  band energies     occupation 
      1       1.9122      2.00000
      2       4.4180      2.00000
      3       4.4750      2.00000
      4       4.5841      2.00000
      5       5.6311      2.00000
      6       5.6561      2.00000
      7      14.6204      0.00000
      8      28.0536      0.00000
      9      28.2682      0.00000
     10      29.8311      0.00000
     11      33.2177      0.00000
     12      34.5601      0.00000
     13      37.6059      0.00000
     14      43.8349      0.00000
     15      46.8355      0.00000
     16      49.6050      0.00000

 k-point    20 :       0.4286    0.0476    0.0000
  band No.  band energies     occupation 
      1       2.2576      2.00000
      2       4.3724      2.00000
      3       4.4317      2.00000
      4       5.0711      2.00000
      5       5.7128      2.00000
      6       5.9897      2.00000
      7      12.8519      0.00000
      8      28.0356      0.00000
      9      28.1225      0.00000
     10      29.1825      0.00000
     11      33.1105      0.00000
     12      33.8151      0.00000
     13      37.7521      0.00000
     14      45.7718      0.00000
     15      48.7009      0.00000
     16      51.0512      0.00000

 k-point    21 :       0.4762    0.0476    0.0000
  band No.  band energies     occupation 
      1       2.4065      2.00000
      2       4.3456      2.00000
      3       4.4026      2.00000
      4       5.3867      2.00000
      5       5.7536      2.00000
      6       6.5344      2.00000
      7      11.5128      0.00000
      8      27.7795      0.00000
      9      28.3437      0.00000
     10      28.7900      0.00000
     11      33.1404      0.00000
     12      33.2257      0.00000
     13      37.8527      0.00000
     14      47.8019      0.00000
     15      50.1378      0.00000
     16      51.8798      0.00000

 k-point    22 :      -0.4762    0.0476    0.0000
  band No.  band energies     occupation 
      1       2.4375      2.00000
      2       4.3412      2.00000
      3       4.3925      2.00000
      4       5.4668      2.00000
      5       5.7459      2.00000
      6       6.7816      2.00000
      7      11.0910      0.00000
      8      27.4917      0.00000
      9      28.6920      0.00000
     10      28.7174      0.00000
     11      32.7985      0.00000
     12      33.3085      0.00000
     13      37.9010      0.00000
     14      49.5731      0.00000
     15      49.6422      0.00000
     16      51.2471      0.00000

 k-point    23 :      -0.4286    0.0476    0.0000
  band No.  band energies     occupation 
      1       2.3734      2.00000
      2       4.3592      2.00000
      3       4.4036      2.00000
      4       5.3460      2.00000
      5       5.6894      2.00000
      6       6.3673      2.00000
      7      11.8895      0.00000
      8      27.2512      0.00000
      9      28.8224      0.00000
     10      29.2315      0.00000
     11      32.5456      0.00000
     12      33.6041      0.00000
     13      37.9041      0.00000
     14      47.6853      0.00000
     15      49.0301      0.00000
     16      51.4722      0.00000

 k-point    24 :      -0.3810    0.0476    0.0000
  band No.  band energies     occupation 
      1       2.1693      2.00000
      2       4.3967      2.00000
      3       4.4344      2.00000
      4       4.9340      2.00000
      5       5.5906      2.00000
      6       5.9276      2.00000
      7      13.4083      0.00000
      8      27.1172      0.00000
      9      29.1181      0.00000
     10      29.8483      0.00000
     11      32.4985      0.00000
     12      34.0025      0.00000
     13      37.8854      0.00000
     14      45.6365      0.00000
     15      47.2143      0.00000
     16      50.8572      0.00000

 k-point    25 :      -0.3333    0.0476    0.0000
  band No.  band energies     occupation 
      1       1.7431      2.00000
      2       4.4433      2.00000
      3       4.4614      2.00000
      4       4.4806      2.00000
      5       5.4623      2.00000
      6       5.7012      2.00000
      7      15.2687      0.00000
      8      27.1077      0.00000
      9      29.5389      0.00000
     10      30.4837      0.00000
     11      32.7298      0.00000
     12      34.4534      0.00000
     13      37.8986      0.00000
     14      43.6394      0.00000
     15      45.4340      0.00000
     16      49.4124      0.00000

 k-point    26 :      -0.2857    0.0476    0.0000
  band No.  band energies     occupation 
      1       1.1024      2.00000
      2       4.1975      2.00000
      3       4.5022      2.00000
      4       4.5327      2.00000
      5       5.3231      2.00000
      6       5.5396      2.00000
      7      17.3360      0.00000
      8      27.2230      0.00000
      9      30.0422      0.00000
     10      31.0265      0.00000
     11      33.3340      0.00000
     12      34.8698      0.00000
     13      38.0448      0.00000
     14      41.7481      0.00000
     15      43.7982      0.00000
     16      47.9167      0.00000

 k-point    27 :      -0.2381    0.0476    0.0000
  band No.  band energies     occupation 
      1       0.3800      2.00000
      2       4.1264      2.00000
      3       4.5459      2.00000
      4       4.5745      2.00000
      5       5.1985      2.00000
      6       5.4031      2.00000
      7      19.5554      0.00000
      8      27.4570      0.00000
      9      30.5655      0.00000
     10      31.4604      0.00000
     11      34.3022      0.00000
     12      35.1617      0.00000
     13      38.4426      0.00000
     14      39.9942      0.00000
     15      42.3386      0.00000
     16      46.5425      0.00000

 k-point    28 :      -0.1905    0.0476    0.0000
  band No.  band energies     occupation 
      1      -0.3042      2.00000
      2       4.1528      2.00000
      3       4.5625      2.00000
      4       4.5821      2.00000
      5       5.1198      2.00000
      6       5.2995      2.00000
      7      21.8944      0.00000
      8      27.8025      0.00000
      9      31.0198      0.00000
     10      31.8620      0.00000
     11      35.3434      0.00000
     12      35.4942      0.00000
     13      38.4383      0.00000
     14      39.0957      0.00000
     15      41.0879      0.00000
     16      45.3037      0.00000

 k-point    29 :      -0.1429    0.0476    0.0000
  band No.  band energies     occupation 
      1      -0.8854      2.00000
      2       4.2189      2.00000
      3       4.5427      2.00000
      4       4.5447      2.00000
      5       5.1032      2.00000
      6       5.2394      2.00000
      7      24.3194      0.00000
      8      28.2557      0.00000
      9      31.3139      0.00000
     10      32.2745      0.00000
     11      35.5225      0.00000
     12      36.2838      0.00000
     13      37.6572      0.00000
     14      39.5055      0.00000
     15      40.4148      0.00000
     16      44.0169      0.00000

 k-point    30 :      -0.0952    0.0476    0.0000
  band No.  band energies     occupation 
      1      -1.3318      2.00000
      2       4.2915      2.00000
      3       4.4861      2.00000
      4       4.4966      2.00000
      5       5.1279      2.00000
      6       5.2153      2.00000
      7      26.7488      0.00000
      8      28.8425      0.00000
      9      31.4246      0.00000
     10      32.6424      0.00000
     11      35.4897      0.00000
     12      35.7219      0.00000
     13      38.7146      0.00000
     14      38.8778      0.00000
     15      40.6583      0.00000
     16      42.4989      0.00000

 k-point    31 :      -0.0476    0.0476    0.0000
  band No.  band energies     occupation 
      1      -1.6269      2.00000
      2       4.3504      2.00000
      3       4.4372      2.00000
      4       4.4473      2.00000
      5       5.1641      2.00000
      6       5.2061      2.00000
      7      28.6752      0.00000
      8      29.9246      0.00000
      9      31.4590      0.00000
     10      32.6668      0.00000
     11      34.9485      0.00000
     12      35.8006      0.00000
     13      37.3568      0.00000
     14      39.6175      0.00000
     15      40.5413      0.00000
     16      42.4901      0.00000

 k-point    32 :       0.0952    0.0952    0.0000
  band No.  band energies     occupation 
      1      -1.4114      2.00000
      2       4.2757      2.00000
      3       4.5008      2.00000
      4       4.5008      2.00000
      5       5.0898      2.00000
      6       5.2461      2.00000
      7      28.6397      0.00000
      8      29.5178      0.00000
      9      29.5178      0.00000
     10      30.8916      0.00000
     11      36.9620      0.00000
     12      36.9983      0.00000
     13      37.8907      0.00000
     14      37.8907      0.00000
     15      41.5103      0.00000
     16      44.0666      0.00000

 k-point    33 :       0.1429    0.0952    0.0000
  band No.  band energies     occupation 
      1      -1.1191      2.00000
      2       4.2082      2.00000
      3       4.5562      2.00000
      4       4.5580      2.00000
      5       5.0404      2.00000
      6       5.2673      2.00000
      7      26.9049      0.00000
      8      28.6999      0.00000
      9      29.0816      0.00000
     10      31.1691      0.00000
     11      35.3982      0.00000
     12      37.2007      0.00000
     13      38.8643      0.00000
     14      39.2347      0.00000
     15      42.7033      0.00000
     16      43.3720      0.00000

 k-point    34 :       0.1905    0.0952    0.0000
  band No.  band energies     occupation 
      1      -0.6776      2.00000
      2       4.1314      2.00000
      3       4.6020      2.00000
      4       4.6151      2.00000
      5       5.0227      2.00000
      6       5.2977      2.00000
      7      24.4817      0.00000
      8      28.0159      0.00000
      9      28.7634      0.00000
     10      31.9868      0.00000
     11      34.0229      0.00000
     12      37.0662      0.00000
     13      39.5268      0.00000
     14      39.8669      0.00000
     15      42.5833      0.00000
     16      44.5753      0.00000

 k-point    35 :       0.2381    0.0952    0.0000
  band No.  band energies     occupation 
      1      -0.1035      2.00000
      2       4.0605      2.00000
      3       4.5946      2.00000
      4       4.6487      2.00000
      5       5.0880      2.00000
      6       5.3548      2.00000
      7      22.0604      0.00000
      8      27.4706      0.00000
      9      28.4331      0.00000
     10      31.7886      0.00000
     11      33.9468      0.00000
     12      36.8641      0.00000
     13      39.1928      0.00000
     14      40.1341      0.00000
     15      42.9968      0.00000
     16      45.9752      0.00000

 k-point    36 :       0.2857    0.0952    0.0000
  band No.  band energies     occupation 
      1       0.5704      2.00000
      2       4.0220      2.00000
      3       4.5340      2.00000
      4       4.6465      2.00000
      5       5.2450      2.00000
      6       5.4439      2.00000
      7      19.7226      0.00000
      8      27.0693      0.00000
      9      28.1088      0.00000
     10      30.6646      0.00000
     11      34.8138      0.00000
     12      36.8337      0.00000
     13      38.2455      0.00000
     14      40.4085      0.00000
     15      44.2811      0.00000
     16      47.2828      0.00000

 k-point    37 :       0.3333    0.0952    0.0000
  band No.  band energies     occupation 
      1       1.2790      2.00000
      2       4.0604      2.00000
      3       4.4554      2.00000
      4       4.6150      2.00000
      5       5.4743      2.00000
      6       5.5507      2.00000
      7      17.5014      0.00000
      8      26.8191      0.00000
      9      27.7718      0.00000
     10      29.5931      0.00000
     11      35.2151      0.00000
     12      37.2327      0.00000
     13      37.3741      0.00000
     14      40.8869      0.00000
     15      45.8911      0.00000
     16      48.7085      0.00000

 k-point    38 :       0.3810    0.0952    0.0000
  band No.  band energies     occupation 
      1       1.9026      2.00000
      2       4.2295      2.00000
      3       4.3926      2.00000
      4       4.5694      2.00000
      5       5.6521      2.00000
      6       5.7897      2.00000
      7      15.4273      0.00000
      8      26.7284      0.00000
      9      27.3521      0.00000
     10      28.7836      0.00000
     11      35.1598      0.00000
     12      36.2998      0.00000
     13      38.1868      0.00000
     14      41.7920      0.00000
     15      47.6589      0.00000
     16      50.2218      0.00000

 k-point    39 :       0.4286    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.3117      2.00000
      2       4.2981      2.00000
      3       4.5235      2.00000
      4       4.5935      2.00000
      5       5.7274      2.00000
      6       6.2582      2.00000
      7      13.5506      0.00000
      8      26.7828      0.00000
      9      26.8063      0.00000
     10      28.3478      0.00000
     11      35.0287      0.00000
     12      35.4862      0.00000
     13      38.7650      0.00000
     14      43.2450      0.00000
     15      49.4467      0.00000
     16      51.6142      0.00000

 k-point    40 :       0.4762    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.5041      2.00000
      2       4.2666      2.00000
      3       4.4872      2.00000
      4       4.8999      2.00000
      5       5.7617      2.00000
      6       6.9142      2.00000
      7      11.9959      0.00000
      8      26.1610      0.00000
      9      27.0610      0.00000
     10      28.2189      0.00000
     11      34.8045      0.00000
     12      34.9400      0.00000
     13      39.1047      0.00000
     14      45.1168      0.00000
     15      50.6046      0.00000
     16      52.1227      0.00000

 k-point    41 :      -0.4762    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.5646      2.00000
      2       4.2571      2.00000
      3       4.4674      2.00000
      4       5.0515      2.00000
      5       5.7473      2.00000
      6       7.4169      1.07941
      7      11.1527      0.00000
      8      25.6128      0.00000
      9      27.4978      0.00000
     10      28.2955      0.00000
     11      34.2576      0.00000
     12      34.9136      0.00000
     13      39.3235      0.00000
     14      47.2326      0.00000
     15      49.4866      0.00000
     16      50.9797      0.00000

 k-point    42 :      -0.4286    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.5376      2.00000
      2       4.2740      2.00000
      3       4.4676      2.00000
      4       5.0135      2.00000
      5       5.6834      2.00000
      6       7.1614      2.00000
      7      11.6064      0.00000
      8      25.1931      0.00000
      9      28.1180      0.00000
     10      28.5396      0.00000
     11      33.8445      0.00000
     12      34.9325      0.00000
     13      39.4973      0.00000
     14      47.4188      0.00000
     15      49.0869      0.00000
     16      49.5171      0.00000

 k-point    43 :      -0.3810    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.4005      2.00000
      2       4.3151      2.00000
      3       4.4888      2.00000
      4       4.7665      2.00000
      5       5.5762      2.00000
      6       6.5508      2.00000
      7      12.9925      0.00000
      8      24.9203      0.00000
      9      28.9177      0.00000
     10      28.9408      0.00000
     11      33.5627      0.00000
     12      34.9560      0.00000
     13      39.6751      0.00000
     14      45.2791      0.00000
     15      47.2965      0.00000
     16      51.4315      0.00000

 k-point    44 :      -0.3333    0.0952    0.0000
  band No.  band energies     occupation 
      1       2.0727      2.00000
      2       4.3735      2.00000
      3       4.4032      2.00000
      4       4.5288      2.00000
      5       5.4375      2.00000
      6       6.1023      2.00000
      7      14.7837      0.00000
      8      24.7981      0.00000
      9      29.4918      0.00000
     10      29.8882      0.00000
     11      33.4097      0.00000
     12      34.9252      0.00000
     13      39.8957      0.00000
     14      43.2043      0.00000
     15      45.6345      0.00000
     16      51.7235      0.00000

 k-point    45 :      -0.2857    0.0952    0.0000
  band No.  band energies     occupation 
      1       1.5089      2.00000
      2       4.1467      2.00000
      3       4.4428      2.00000
      4       4.5815      2.00000
      5       5.2842      2.00000
      6       5.8201      2.00000
      7      16.7995      0.00000
      8      24.8230      0.00000
      9      30.1784      0.00000
     10      31.0138      0.00000
     11      33.3858      0.00000
     12      34.7803      0.00000
     13      40.1826      0.00000
     14      41.2324      0.00000
     15      44.2441      0.00000
     16      50.3947      0.00000

 k-point    46 :      -0.2381    0.0952    0.0000
  band No.  band energies     occupation 
      1       0.8101      2.00000
      2       4.0606      2.00000
      3       4.5077      2.00000
      4       4.6333      2.00000
      5       5.1400      2.00000
      6       5.6141      2.00000
      7      18.9750      0.00000
      8      24.9893      0.00000
      9      30.9645      0.00000
     10      32.2569      0.00000
     11      33.5085      0.00000
     12      34.5005      0.00000
     13      39.3851      0.00000
     14      40.5145      0.00000
     15      43.1857      0.00000
     16      48.8288      0.00000

 k-point    47 :      -0.1905    0.0952    0.0000
  band No.  band energies     occupation 
      1       0.1131      2.00000
      2       4.0782      2.00000
      3       4.5541      2.00000
      4       4.6550      2.00000
      5       5.0424      2.00000
      6       5.4522      2.00000
      7      21.2747      0.00000
      8      25.2929      0.00000
      9      31.7426      0.00000
     10      33.3297      0.00000
     11      34.0305      0.00000
     12      34.1778      0.00000
     13      37.6932      0.00000
     14      40.7809      0.00000
     15      42.4902      0.00000
     16      47.3073      0.00000

 k-point    48 :      -0.1429    0.0952    0.0000
  band No.  band energies     occupation 
      1      -0.5000      2.00000
      2       4.1431      2.00000
      3       4.5671      2.00000
      4       4.6162      2.00000
      5       5.0276      2.00000
      6       5.3338      2.00000
      7      23.6567      0.00000
      8      25.7454      0.00000
      9      32.1619      0.00000
     10      33.7017      0.00000
     11      34.1832      0.00000
     12      35.3354      0.00000
     13      36.2983      0.00000
     14      40.8262      0.00000
     15      42.0077      0.00000
     16      45.7965      0.00000

 k-point    49 :      -0.0952    0.0952    0.0000
  band No.  band energies     occupation 
      1      -0.9885      2.00000
      2       4.2213      2.00000
      3       4.5429      2.00000
      4       4.5454      2.00000
      5       5.0704      2.00000
      6       5.2596      2.00000
      7      25.8145      0.00000
      8      26.6196      0.00000
      9      31.9221      0.00000
     10      33.5688      0.00000
     11      34.8361      0.00000
     12      35.2895      0.00000
     13      37.1319      0.00000
     14      40.7171      0.00000
     15      40.9086      0.00000
     16      44.1111      0.00000

 k-point    50 :       0.1429    0.1429    0.0000
  band No.  band energies     occupation 
      1      -0.8829      2.00000
      2       4.1326      2.00000
      3       4.6240      2.00000
      4       4.6240      2.00000
      5       4.9690      2.00000
      6       5.2995      2.00000
      7      27.7699      0.00000
      8      27.7808      0.00000
      9      27.7808      0.00000
     10      29.6898      0.00000
     11      33.9961      0.00000
     12      38.9703      0.00000
     13      39.8590      0.00000
     14      39.8590      0.00000
     15      43.2984      0.00000
     16      45.1268      0.00000

 k-point    51 :       0.1905    0.1429    0.0000
  band No.  band energies     occupation 
      1      -0.4977      2.00000
      2       4.0473      2.00000
      3       4.6798      2.00000
      4       4.6960      2.00000
      5       4.9332      2.00000
      6       5.3341      2.00000
      7      25.5241      0.00000
      8      27.0061      0.00000
      9      28.0419      0.00000
     10      29.7460      0.00000
     11      32.6837      0.00000
     12      39.1669      0.00000
     13      40.7048      0.00000
     14      41.0760      0.00000
     15      44.5073      0.00000
     16      44.7925      0.00000

 k-point    52 :       0.2381    0.1429    0.0000
  band No.  band energies     occupation 
      1       0.0221      2.00000
      2       3.9641      2.00000
      3       4.6429      2.00000
      4       4.7494      2.00000
      5       5.0248      2.00000
      6       5.3882      2.00000
      7      23.1180      0.00000
      8      26.3811      0.00000
      9      27.7758      0.00000
     10      29.8319      0.00000
     11      32.3976      0.00000
     12      38.8109      0.00000
     13      40.8254      0.00000
     14      41.7014      0.00000
     15      44.4039      0.00000
     16      46.5925      0.00000

 k-point    53 :       0.2857    0.1429    0.0000
  band No.  band energies     occupation 
      1       0.6491      2.00000
      2       3.9000      2.00000
      3       4.5463      2.00000
      4       4.7662      2.00000
      5       5.2267      2.00000
      6       5.4712      2.00000
      7      20.7601      0.00000
      8      25.9122      0.00000
      9      27.3548      0.00000
     10      29.0498      0.00000
     11      33.5047      0.00000
     12      38.3580      0.00000
     13      40.0922      0.00000
     14      41.9215      0.00000
     15      45.4008      0.00000
     16      48.0287      0.00000

 k-point    54 :       0.3333    0.1429    0.0000
  band No.  band energies     occupation 
      1       1.3303      2.00000
      2       3.8815      2.00000
      3       4.4423      2.00000
      4       4.7476      2.00000
      5       5.5129      2.00000
      6       5.5728      2.00000
      7      18.5005      0.00000
      8      25.6073      0.00000
      9      26.7395      0.00000
     10      28.3088      0.00000
     11      35.1046      0.00000
     12      37.9053      0.00000
     13      39.1180      0.00000
     14      42.0154      0.00000
     15      46.8970      0.00000
     16      49.5251      0.00000

 k-point    55 :       0.3810    0.1429    0.0000
  band No.  band energies     occupation 
      1       1.9662      2.00000
      2       3.9452      2.00000
      3       4.3584      2.00000
      4       4.7078      2.00000
      5       5.6703      2.00000
      6       5.9092      2.00000
      7      16.3693      0.00000
      8      25.4751      0.00000
      9      25.9196      0.00000
     10      27.8990      0.00000
     11      36.8878      0.00000
     12      37.5006      0.00000
     13      38.1689      0.00000
     14      42.1201      0.00000
     15      48.6048      0.00000
     16      51.0787      0.00000

 k-point    56 :       0.4286    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.4237      2.00000
      2       4.0754      2.00000
      3       4.3551      2.00000
      4       4.6615      2.00000
      5       5.7417      2.00000
      6       6.4756      2.00000
      7      14.4029      0.00000
      8      25.0607      0.00000
      9      25.5238      0.00000
     10      27.7257      0.00000
     11      37.1349      0.00000
     12      37.3177      0.00000
     13      38.7442      0.00000
     14      42.3593      0.00000
     15      50.3422      0.00000
     16      52.4278      0.00000

 k-point    57 :       0.4762    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.6588      2.00000
      2       4.1157      2.00000
      3       4.5242      2.00000
      4       4.6197      2.00000
      5       5.7718      2.00000
      6       7.2462      2.00000
      7      12.6768      0.00000
      8      24.2782      0.00000
      9      25.7603      0.00000
     10      27.7105      0.00000
     11      36.5878      0.00000
     12      36.8470      0.00000
     13      40.3452      0.00000
     14      43.0207      0.00000
     15      51.1639      0.00000
     16      52.5719      0.00000

 k-point    58 :      -0.4762    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.7480      2.00000
      2       4.1157      2.00000
      3       4.5906      2.00000
      4       4.6858      2.00000
      5       5.7524      2.00000
      6       8.0175      0.00000
      7      11.4438      0.00000
      8      23.6194      0.00000
      9      26.1876      0.00000
     10      27.8344      0.00000
     11      35.9872      0.00000
     12      36.6069      0.00000
     13      41.2573      0.00000
     14      44.5453      0.00000
     15      49.5273      0.00000
     16      51.0658      0.00000

 k-point    59 :      -0.4286    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.7539      2.00000
      2       4.1356      2.00000
      3       4.5791      2.00000
      4       4.7109      2.00000
      5       5.6828      2.00000
      6       8.0417      0.00000
      7      11.4506      0.00000
      8      23.1054      0.00000
      9      26.8044      0.00000
     10      28.0995      0.00000
     11      35.5182      0.00000
     12      36.3880      0.00000
     13      41.6980      0.00000
     14      46.6891      0.00000
     15      47.3133      0.00000
     16      49.1344      0.00000

 k-point    60 :      -0.3810    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.6760      2.00000
      2       4.1832      2.00000
      3       4.5673      2.00000
      4       4.5881      2.00000
      5       5.5690      2.00000
      6       7.3380      1.98022
      7      12.6938      0.00000
      8      22.7460      0.00000
      9      27.6046      0.00000
     10      28.5131      0.00000
     11      35.1804      0.00000
     12      36.1472      0.00000
     13      42.0014      0.00000
     14      45.0922      0.00000
     15      47.2566      0.00000
     16      49.1215      0.00000

 k-point    61 :      -0.3333    0.1429    0.0000
  band No.  band energies     occupation 
      1       2.4491      2.00000
      2       4.2536      2.00000
      3       4.3017      2.00000
      4       4.6177      2.00000
      5       5.4221      2.00000
      6       6.6710      2.00000
      7      14.4246      0.00000
      8      22.5446      0.00000
      9      28.5783      0.00000
     10      29.0818      0.00000
     11      34.9728      0.00000
     12      35.8280      0.00000
     13      42.2206      0.00000
     14      42.9455      0.00000
     15      45.7526      0.00000
     16      51.5077      0.00000

 k-point    62 :      -0.2857    0.1429    0.0000
  band No.  band energies     occupation 
      1       1.9898      2.00000
      2       4.0725      2.00000
      3       4.3415      2.00000
      4       4.6655      2.00000
      5       5.2568      2.00000
      6       6.2137      2.00000
      7      16.3921      0.00000
      8      22.5001      0.00000
      9      29.7123      0.00000
     10      29.8091      0.00000
     11      34.8942      0.00000
     12      35.3711      0.00000
     13      40.8980      0.00000
     14      42.2257      0.00000
     15      44.7996      0.00000
     16      52.8904      0.00000

 k-point    63 :      -0.2381    0.1429    0.0000
  band No.  band energies     occupation 
      1       1.3443      2.00000
      2       3.9840      2.00000
      3       4.4302      2.00000
      4       4.7241      2.00000
      5       5.0917      2.00000
      6       5.8982      2.00000
      7      18.5213      0.00000
      8      22.6098      0.00000
      9      30.6938      0.00000
     10      30.9912      0.00000
     11      34.7399      0.00000
     12      34.9424      0.00000
     13      38.9645      0.00000
     14      41.8924      0.00000
     15      44.5367      0.00000
     16      51.4241      0.00000

 k-point    64 :      -0.1905    0.1429    0.0000
  band No.  band energies     occupation 
      1       0.6543      2.00000
      2       3.9977      2.00000
      3       4.5070      2.00000
      4       4.7661      2.00000
      5       4.9640      2.00000
      6       5.6589      2.00000
      7      20.7669      0.00000
      8      22.8803      0.00000
      9      31.7286      0.00000
     10      32.3952      0.00000
     11      33.9501      0.00000
     12      35.1038      0.00000
     13      37.1727      0.00000
     14      41.4560      0.00000
     15      44.5346      0.00000
     16      49.0714      0.00000

 k-point    65 :      -0.1429    0.1429    0.0000
  band No.  band energies     occupation 
      1       0.0220      2.00000
      2       4.0617      2.00000
      3       4.5564      2.00000
      4       4.7120      2.00000
      5       4.9595      2.00000
      6       5.4719      2.00000
      7      22.8676      0.00000
      8      23.5452      0.00000
      9      32.8824      0.00000
     10      33.0827      0.00000
     11      33.8826      0.00000
     12      35.0563      0.00000
     13      35.8803      0.00000
     14      41.1116      0.00000
     15      43.9083      0.00000
     16      47.2514      0.00000

 k-point    66 :       0.1905    0.1905    0.0000
  band No.  band energies     occupation 
      1      -0.1724      2.00000
      2       3.9526      2.00000
      3       4.7897      2.00000
      4       4.7897      2.00000
      5       4.8390      2.00000
      6       5.3678      2.00000
      7      26.1436      0.00000
      8      26.1436      0.00000
      9      26.9855      0.00000
     10      28.2661      0.00000
     11      31.2752      0.00000
     12      41.3247      0.00000
     13      41.7815      0.00000
     14      41.7815      0.00000
     15      45.3333      0.00000
     16      46.4701      0.00000

 k-point    67 :       0.2381    0.1905    0.0000
  band No.  band energies     occupation 
      1       0.2848      2.00000
      2       3.8583      2.00000
      3       4.7138      2.00000
      4       4.8708      2.00000
      5       4.9704      2.00000
      6       5.4144      2.00000
      7      24.1945      0.00000
      8      25.4361      0.00000
      9      27.0658      0.00000
     10      27.8530      0.00000
     11      30.5946      0.00000
     12      41.3967      0.00000
     13      42.3790      0.00000
     14      43.1013      0.00000
     15      45.9235      0.00000
     16      46.9422      0.00000

 k-point    68 :       0.2857    0.1905    0.0000
  band No.  band energies     occupation 
      1       0.8491      2.00000
      2       3.7769      2.00000
      3       4.5940      2.00000
      4       4.9136      2.00000
      5       5.2060      2.00000
      6       5.4892      2.00000
      7      21.8797      0.00000
      8      24.8921      0.00000
      9      26.3417      0.00000
     10      27.7070      0.00000
     11      31.2453      0.00000
     12      40.9463      0.00000
     13      41.9925      0.00000
     14      43.7243      0.00000
     15      46.5464      0.00000
     16      48.8487      0.00000

 k-point    69 :       0.3333    0.1905    0.0000
  band No.  band energies     occupation 
      1       1.4746      2.00000
      2       3.7248      2.00000
      3       4.4765      2.00000
      4       4.9126      2.00000
      5       5.5333      2.00000
      6       5.5869      2.00000
      7      19.6089      0.00000
      8      24.5210      0.00000
      9      25.3149      0.00000
     10      27.4663      0.00000
     11      32.6995      0.00000
     12      40.4242      0.00000
     13      41.0967      0.00000
     14      43.9336      0.00000
     15      47.9322      0.00000
     16      50.4565      0.00000

 k-point    70 :       0.3810    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.0806      2.00000
      2       3.7232      2.00000
      3       4.3774      2.00000
      4       4.8817      2.00000
      5       5.6834      2.00000
      6       5.9920      2.00000
      7      17.4394      0.00000
      8      24.2599      0.00000
      9      24.3325      0.00000
     10      27.2971      0.00000
     11      34.4713      0.00000
     12      39.9273      0.00000
     13      40.1428      0.00000
     14      44.0110      0.00000
     15      49.6147      0.00000
     16      52.0833      0.00000

 k-point    71 :       0.4286    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.5537      2.00000
      2       3.7856      2.00000
      3       4.3252      2.00000
      4       4.8374      2.00000
      5       5.7543      2.00000
      6       6.6388      2.00000
      7      15.4062      0.00000
      8      23.2792      0.00000
      9      24.3350      0.00000
     10      27.2198      0.00000
     11      36.3949      0.00000
     12      39.2612      0.00000
     13      39.5212      0.00000
     14      44.0763      0.00000
     15      51.3638      0.00000
     16      53.4204      0.00000

 k-point    72 :       0.4762    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.8268      2.00000
      2       3.8670      2.00000
      3       4.3577      2.00000
      4       4.7920      2.00000
      5       5.7830      2.00000
      6       7.5066      0.01476
      7      13.5563      0.00000
      8      22.4130      0.00000
      9      24.5342      0.00000
     10      27.2404      0.00000
     11      38.0904      0.00000
     12      38.4913      0.00000
     13      39.5481      0.00000
     14      44.1817      0.00000
     15      51.7578      0.00000
     16      53.1144      0.00000

 k-point    73 :      -0.4762    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.9499      2.00000
      2       3.9111      2.00000
      3       4.4444      2.00000
      4       4.7544      2.00000
      5       5.7611      2.00000
      6       8.4992      0.00000
      7      12.0210      0.00000
      8      21.6811      0.00000
      9      24.9311      0.00000
     10      27.3687      0.00000
     11      37.8470      0.00000
     12      38.3078      0.00000
     13      41.2186      0.00000
     14      44.3505      0.00000
     15      49.6909      0.00000
     16      51.2683      0.00000

 k-point    74 :      -0.4286    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.9907      2.00000
      2       3.9478      2.00000
      3       4.4778      2.00000
      4       4.7306      2.00000
      5       5.6884      2.00000
      6       8.9709      0.00000
      7      11.4480      0.00000
      8      21.0962      0.00000
      9      25.5219      0.00000
     10      27.6167      0.00000
     11      37.3342      0.00000
     12      38.0105      0.00000
     13      43.4577      0.00000
     14      44.6323      0.00000
     15      47.3717      0.00000
     16      49.2469      0.00000

 k-point    75 :      -0.3810    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.9656      2.00000
      2       4.0071      2.00000
      3       4.3933      2.00000
      4       4.7246      2.00000
      5       5.5712      2.00000
      6       8.2648      0.00000
      7      12.5018      0.00000
      8      20.6671      0.00000
      9      26.2975      0.00000
     10      27.9962      0.00000
     11      36.9552      0.00000
     12      37.6183      0.00000
     13      44.5211      0.00000
     14      45.0875      0.00000
     15      46.1089      0.00000
     16      47.6016      0.00000

 k-point    76 :      -0.3333    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.8322      2.00000
      2       4.0920      2.00000
      3       4.2011      2.00000
      4       4.7382      2.00000
      5       5.4207      2.00000
      6       7.3975      1.48351
      7      14.1828      0.00000
      8      20.3993      0.00000
      9      27.2447      0.00000
     10      28.5167      0.00000
     11      36.7116      0.00000
     12      37.1181      0.00000
     13      42.8842      0.00000
     14      44.2487      0.00000
     15      46.4164      0.00000
     16      48.9173      0.00000

 k-point    77 :      -0.2857    0.1905    0.0000
  band No.  band energies     occupation 
      1       2.4960      2.00000
      2       4.0021      2.00000
      3       4.2050      2.00000
      4       4.7713      2.00000
      5       5.2510      2.00000
      6       6.7343      2.00000
      7      16.1034      0.00000
      8      20.2963      0.00000
      9      28.3479      0.00000
     10      29.1823      0.00000
     11      36.4602      0.00000
     12      36.6051      0.00000
     13      40.7775      0.00000
     14      43.3572      0.00000
     15      46.4827      0.00000
     16      51.4956      0.00000

 k-point    78 :      -0.2381    0.1905    0.0000
  band No.  band energies     occupation 
      1       1.9388      2.00000
      2       3.9206      2.00000
      3       4.3183      2.00000
      4       4.8217      2.00000
      5       5.0768      2.00000
      6       6.2673      2.00000
      7      18.1689      0.00000
      8      20.3701      0.00000
      9      29.5890      0.00000
     10      29.9877      0.00000
     11      35.6300      0.00000
     12      36.6383      0.00000
     13      38.7767      0.00000
     14      42.5114      0.00000
     15      46.7659      0.00000
     16      50.9375      0.00000

 k-point    79 :      -0.1905    0.1905    0.0000
  band No.  band energies     occupation 
      1       1.2850      2.00000
      2       3.9346      2.00000
      3       4.4242      2.00000
      4       4.8800      2.00000
      5       4.9186      2.00000
      6       5.9248      2.00000
      7      20.1092      0.00000
      8      20.8541      0.00000
      9      30.8979      0.00000
     10      30.9477      0.00000
     11      34.7042      0.00000
     12      36.7507      0.00000
     13      36.9550      0.00000
     14      41.9088      0.00000
     15      46.3701      0.00000
     16      49.2809      0.00000

 k-point    80 :       0.2381    0.2381    0.0000
  band No.  band energies     occupation 
      1       0.6704      2.00000
      2       3.7531      2.00000
      3       4.7579      2.00000
      4       4.9897      2.00000
      5       4.9897      2.00000
      6       5.4452      2.00000
      7      24.6463      0.00000
      8      24.6463      0.00000
      9      26.1837      0.00000
     10      26.3247      0.00000
     11      29.4760      0.00000
     12      43.6470      0.00000
     13      43.6470      0.00000
     14      43.9661      0.00000
     15      46.8473      0.00000
     16      47.3243      0.00000

 k-point    81 :       0.2857    0.2381    0.0000
  band No.  band energies     occupation 
      1       1.1530      2.00000
      2       3.6588      2.00000
      3       4.7010      2.00000
      4       5.0721      2.00000
      5       5.1828      2.00000
      6       5.5018      2.00000
      7      22.9583      0.00000
      8      24.0231      0.00000
      9      24.9902      0.00000
     10      26.6254      0.00000
     11      29.4066      0.00000
     12      43.5669      0.00000
     13      43.9070      0.00000
     14      45.4357      0.00000
     15      47.3165      0.00000
     16      48.9936      0.00000

 k-point    82 :       0.3333    0.2381    0.0000
  band No.  band energies     occupation 
      1       1.6887      2.00000
      2       3.5872      2.00000
      3       4.6080      2.00000
      4       5.0973      2.00000
      5       5.5240      2.00000
      6       5.5919      2.00000
      7      20.7805      0.00000
      8      23.5785      0.00000
      9      23.7737      0.00000
     10      26.8196      0.00000
     11      30.4092      0.00000
     12      43.0279      0.00000
     13      43.1666      0.00000
     14      46.0703      0.00000
     15      48.7111      0.00000
     16      51.3923      0.00000

 k-point    83 :       0.3810    0.2381    0.0000
  band No.  band energies     occupation 
      1       2.2107      2.00000
      2       3.5512      2.00000
      3       4.5145      2.00000
      4       5.0791      2.00000
      5       5.6897      2.00000
      6       6.0331      2.00000
      7      18.6162      0.00000
      8      22.6177      0.00000
      9      23.3240      0.00000
     10      26.8078      0.00000
     11      32.0094      0.00000
     12      42.2139      0.00000
     13      42.4167      0.00000
     14      46.3330      0.00000
     15      50.4893      0.00000
     16      53.1590      0.00000

 k-point    84 :       0.4286    0.2381    0.0000
  band No.  band energies     occupation 
      1       2.6396      2.00000
      2       3.5614      2.00000
      3       4.4403      2.00000
      4       5.0393      2.00000
      5       5.7637      2.00000
      6       6.7526      2.00000
      7      16.5478      0.00000
      8      21.5680      0.00000
      9      23.2691      0.00000
     10      26.7883      0.00000
     11      33.8945      0.00000
     12      41.2999      0.00000
     13      41.8246      0.00000
     14      46.4987      0.00000
     15      52.4038      0.00000
     16      54.3292      0.00000

 k-point    85 :       0.4762    0.2381    0.0000
  band No.  band energies     occupation 
      1       2.9261      2.00000
      2       3.6125      2.00000
      3       4.4003      2.00000
      4       4.9924      2.00000
      5       5.7944      2.00000
      6       7.7015      0.00000
      7      14.6200      0.00000
      8      20.6438      0.00000
      9      23.4195      0.00000
     10      26.8255      0.00000
     11      35.9509      0.00000
     12      40.4864      0.00000
     13      41.2886      0.00000
     14      46.6704      0.00000
     15      52.2891      0.00000
     16      53.6735      0.00000

 k-point    86 :      -0.4762    0.2381    0.0000
  band No.  band energies     occupation 
      1       3.0912      2.00000
      2       3.6740      2.00000
      3       4.3891      2.00000
      4       4.9476      2.00000
      5       5.7733      2.00000
      6       8.8357      0.00000
      7      12.8968      0.00000
      8      19.8566      0.00000
      9      23.7753      0.00000
     10      26.9450      0.00000
     11      38.0695      0.00000
     12      39.7933      0.00000
     13      40.8749      0.00000
     14      46.8764      0.00000
     15      49.9759      0.00000
     16      51.5663      0.00000

 k-point    87 :      -0.4286    0.2381    0.0000
  band No.  band energies     occupation 
      1       3.1834      2.00000
      2       3.7320      2.00000
      3       4.3670      2.00000
      4       4.9111      2.00000
      5       5.7009      2.00000
      6       9.8252      0.00000
      7      11.7080      0.00000
      8      19.2160      0.00000
      9      24.3306      0.00000
     10      27.1635      0.00000
     11      39.2276      0.00000
     12      39.5009      0.00000
     13      41.2825      0.00000
     14      47.0516      0.00000
     15      47.6035      0.00000
     16      49.5322      0.00000

 k-point    88 :      -0.3810    0.2381    0.0000
  band No.  band energies     occupation 
      1       3.2181      2.00000
      2       3.8060      2.00000
      3       4.2851      2.00000
      4       4.8870      2.00000
      5       5.5851      2.00000
      6       9.3292      0.00000
      7      12.3967      0.00000
      8      18.7318      0.00000
      9      25.0740      0.00000
     10      27.4941      0.00000
     11      38.7906      0.00000
     12      39.2871      0.00000
     13      43.3706      0.00000
     14      45.2900      0.00000
     15      46.6525      0.00000
     16      48.4020      0.00000

 k-point    89 :      -0.3333    0.2381    0.0000
  band No.  band energies     occupation 
      1       3.1687      2.00000
      2       3.9105      2.00000
      3       4.1297      2.00000
      4       4.8765      2.00000
      5       5.4394      2.00000
      6       8.2882      0.00000
      7      14.0289      0.00000
      8      18.4157      0.00000
      9      25.9901      0.00000
     10      27.9465      0.00000
     11      38.4777      0.00000
     12      38.6479      0.00000
     13      43.0728      0.00000
     14      44.8656      0.00000
     15      46.3780      0.00000
     16      48.5654      0.00000

 k-point    90 :      -0.2857    0.2381    0.0000
  band No.  band energies     occupation 
      1       2.9547      2.00000
      2       3.9640      2.00000
      3       4.0462      2.00000
      4       4.8767      2.00000
      5       5.2823      2.00000
      6       7.4123      1.18187
      7      15.8728      0.00000
      8      18.2953      0.00000
      9      27.0611      0.00000
     10      28.5243      0.00000
     11      37.7785      0.00000
     12      38.2631      0.00000
     13      40.9925      0.00000
     14      43.8996      0.00000
     15      48.7935      0.00000
     16      49.0631      0.00000

 k-point    91 :      -0.2381    0.2381    0.0000
  band No.  band energies     occupation 
      1       2.5158      2.00000
      2       3.9001      2.00000
      3       4.1845      2.00000
      4       4.8725      2.00000
      5       5.1435      2.00000
      6       6.7538      2.00000
      7      17.5803      0.00000
      8      18.6299      0.00000
      9      28.2679      0.00000
     10      29.2183      0.00000
     11      36.7262      0.00000
     12      37.9365      0.00000
     13      39.2699      0.00000
     14      43.0831      0.00000
     15      48.8979      0.00000
     16      50.5627      0.00000

 k-point    92 :       0.2857    0.2857    0.0000
  band No.  band energies     occupation 
      1       1.5308      2.00000
      2       3.5524      2.00000
      3       4.8481      2.00000
      4       5.2110      2.00000
      5       5.2110      2.00000
      6       5.5250      2.00000
      7      23.3200      0.00000
      8      23.3200      0.00000
      9      23.5646      0.00000
     10      25.7922      0.00000
     11      28.5323      0.00000
     12      45.5102      0.00000
     13      45.5102      0.00000
     14      46.8661      0.00000
     15      47.3010      0.00000
     16      49.1098      0.00000

 k-point    93 :       0.3333    0.2857    0.0000
  band No.  band energies     occupation 
      1       1.9386      2.00000
      2       3.4668      2.00000
      3       4.8874      2.00000
      4       5.2834      2.00000
      5       5.4825      2.00000
      6       5.5903      2.00000
      7      21.8341      0.00000
      8      22.3116      0.00000
      9      22.7977      0.00000
     10      26.0512      0.00000
     11      28.6935      0.00000
     12      45.3248      0.00000
     13      45.5654      0.00000
     14      48.1854      0.00000
     15      48.5755      0.00000
     16      50.7729      0.00000

 k-point    94 :       0.3810    0.2857    0.0000
  band No.  band energies     occupation 
      1       2.3250      2.00000
      2       3.4120      2.00000
      3       4.8252      2.00000
      4       5.2846      2.00000
      5       5.6878      2.00000
      6       6.0375      2.00000
      7      19.8382      0.00000
      8      21.0780      0.00000
      9      22.4703      0.00000
     10      26.3155      0.00000
     11      29.8062      0.00000
     12      44.3758      0.00000
     13      44.9571      0.00000
     14      48.8038      0.00000
     15      50.6279      0.00000
     16      53.3976      0.00000

 k-point    95 :       0.4286    0.2857    0.0000
  band No.  band energies     occupation 
      1       2.6494      2.00000
      2       3.3956      2.00000
      3       4.7367      2.00000
      4       5.2515      2.00000
      5       5.7687      2.00000
      6       6.8328      2.00000
      7      17.7985      0.00000
      8      19.9764      0.00000
      9      22.3495      0.00000
     10      26.3990      0.00000
     11      31.4892      0.00000
     12      43.4195      0.00000
     13      44.2518      0.00000
     14      49.1430      0.00000
     15      52.7590      0.00000
     16      54.5409      0.00000

 k-point    96 :       0.4762    0.2857    0.0000
  band No.  band energies     occupation 
      1       2.8978      2.00000
      2       3.4185      2.00000
      3       4.6424      2.00000
      4       5.2052      2.00000
      5       5.8054      2.00000
      6       7.8506      0.00000
      7      15.8414      0.00000
      8      19.0112      0.00000
      9      22.4422      0.00000
     10      26.4651      0.00000
     11      33.4638      0.00000
     12      42.5519      0.00000
     13      43.5531      0.00000
     14      49.4185      0.00000
     15      52.6617      0.00000
     16      54.1734      0.00000

 k-point    97 :      -0.4762    0.2857    0.0000
  band No.  band energies     occupation 
      1       3.0837      2.00000
      2       3.4703      2.00000
      3       4.5454      2.00000
      4       5.1551      2.00000
      5       5.7886      2.00000
      6       9.0593      0.00000
      7      14.0242      0.00000
      8      18.1879      0.00000
      9      22.7483      0.00000
     10      26.5797      0.00000
     11      35.6276      0.00000
     12      41.7950      0.00000
     13      42.8742      0.00000
     14      49.6690      0.00000
     15      50.3894      0.00000
     16      51.9739      0.00000

 k-point    98 :      -0.4286    0.2857    0.0000
  band No.  band energies     occupation 
      1       3.2313      2.00000
      2       3.5348      2.00000
      3       4.4376      2.00000
      4       5.1060      2.00000
      5       5.7207      2.00000
      6      10.3632      0.00000
      7      12.4443      0.00000
      8      17.5160      0.00000
      9      23.2610      0.00000
     10      26.7704      0.00000
     11      37.9290      0.00000
     12      41.1508      0.00000
     13      42.1933      0.00000
     14      48.0336      0.00000
     15      49.2496      0.00000
     16      50.5596      0.00000

 k-point    99 :      -0.3810    0.2857    0.0000
  band No.  band energies     occupation 
      1       3.3438      2.00000
      2       3.6127      2.00000
      3       4.3041      2.00000
      4       5.0600      2.00000
      5       5.6131      2.00000
      6      10.5267      0.00000
      7      12.3307      0.00000
      8      17.0133      0.00000
      9      23.9670      0.00000
     10      27.0533      0.00000
     11      40.2201      0.00000
     12      40.6064      0.00000
     13      41.5534      0.00000
     14      45.7563      0.00000
     15      47.5268      0.00000
     16      50.8135      0.00000

 k-point   100 :      -0.3333    0.2857    0.0000
  band No.  band energies     occupation 
      1       3.3810      2.00000
      2       3.7269      2.00000
      3       4.1426      2.00000
      4       5.0142      2.00000
      5       5.4850      2.00000
      6       9.3510      0.00000
      7      13.8464      0.00000
      8      16.7290      0.00000
      9      24.8490      0.00000
     10      27.4391      0.00000
     11      40.1115      0.00000
     12      40.2799      0.00000
     13      42.9825      0.00000
     14      43.6459      0.00000
     15      46.1186      0.00000
     16      51.3458      0.00000

 k-point   101 :      -0.2857    0.2857    0.0000
  band No.  band energies     occupation 
      1       3.2698      2.00000
      2       3.8787      2.00000
      3       4.0052      2.00000
      4       4.9583      2.00000
      5       5.3642      2.00000
      6       8.2812      0.00000
      7      15.2905      0.00000
      8      16.9276      0.00000
      9      25.8872      0.00000
     10      27.9319      0.00000
     11      39.1197      0.00000
     12      39.4716      0.00000
     13      41.9129      0.00000
     14      44.3197      0.00000
     15      46.3463      0.00000
     16      51.6500      0.00000

 k-point   102 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1       2.1889      2.00000
      2       3.3680      2.00000
      3       5.3297      2.00000
      4       5.4354      2.00000
      5       5.4354      2.00000
      6       5.6000      2.00000
      7      20.8865      0.00000
      8      22.1964      0.00000
      9      22.1964      0.00000
     10      25.3820      0.00000
     11      27.9867      0.00000
     12      47.4368      0.00000
     13      47.4368      0.00000
     14      47.8130      0.00000
     15      50.0050      0.00000
     16      50.6073      0.00000

 k-point   103 :       0.3810    0.3333    0.0000
  band No.  band energies     occupation 
      1       2.4166      2.00000
      2       3.2988      2.00000
      3       5.2969      2.00000
      4       5.4799      2.00000
      5       5.6770      2.00000
      6       6.0421      2.00000
      7      19.6324      0.00000
      8      20.9654      0.00000
      9      21.7920      0.00000
     10      25.6456      0.00000
     11      28.2394      0.00000
     12      46.5997      0.00000
     13      47.4836      0.00000
     14      49.9032      0.00000
     15      51.2153      0.00000
     16      52.3131      0.00000

 k-point   104 :       0.4286    0.3333    0.0000
  band No.  band energies     occupation 
      1       2.6163      2.00000
      2       3.2664      2.00000
      3       5.1708      2.00000
      4       5.4548      2.00000
      5       5.7690      2.00000
      6       6.9202      2.00000
      7      18.5044      0.00000
      8      19.1199      0.00000
      9      21.5989      0.00000
     10      25.9751      0.00000
     11      29.3948      0.00000
     12      45.5853      0.00000
     13      46.7813      0.00000
     14      51.8338      0.00000
     15      52.1247      0.00000
     16      54.6346      0.00000

 k-point   105 :       0.4762    0.3333    0.0000
  band No.  band energies     occupation 
      1       2.7938      2.00000
      2       3.2739      2.00000
      3       5.0230      2.00000
      4       5.4108      2.00000
      5       5.8160      2.00000
      6       7.9836      0.00000
      7      17.1627      0.00000
      8      17.5665      0.00000
      9      21.6261      0.00000
     10      26.1346      0.00000
     11      31.1349      0.00000
     12      44.6513      0.00000
     13      45.9775      0.00000
     14      52.2448      0.00000
     15      52.8507      0.00000
     16      54.5500      0.00000

 k-point   106 :      -0.4762    0.3333    0.0000
  band No.  band energies     occupation 
      1       2.9582      2.00000
      2       3.3180      2.00000
      3       4.8567      2.00000
      4       5.3576      2.00000
      5       5.8074      2.00000
      6       9.2064      0.00000
      7      15.3360      0.00000
      8      16.7279      0.00000
      9      21.8749      0.00000
     10      26.2684      0.00000
     11      33.1838      0.00000
     12      43.8070      0.00000
     13      45.1533      0.00000
     14      50.9562      0.00000
     15      52.0694      0.00000
     16      52.9669      0.00000

 k-point   107 :      -0.4286    0.3333    0.0000
  band No.  band energies     occupation 
      1       3.1190      2.00000
      2       3.3881      2.00000
      3       4.6729      2.00000
      4       5.2966      2.00000
      5       5.7489      2.00000
      6      10.5500      0.00000
      7      13.6240      0.00000
      8      16.0819      0.00000
      9      22.3381      0.00000
     10      26.4439      0.00000
     11      35.4347      0.00000
     12      43.0352      0.00000
     13      44.2666      0.00000
     14      48.7153      0.00000
     15      50.0626      0.00000
     16      53.2306      0.00000

 k-point   108 :      -0.3810    0.3333    0.0000
  band No.  band energies     occupation 
      1       3.2784      2.00000
      2       3.4715      2.00000
      3       4.4744      2.00000
      4       5.2244      2.00000
      5       5.6581      2.00000
      6      11.7445      0.00000
      7      12.2636      0.00000
      8      15.6797      0.00000
      9      23.0013      0.00000
     10      26.6890      0.00000
     11      37.8423      0.00000
     12      42.2775      0.00000
     13      43.2061      0.00000
     14      46.5972      0.00000
     15      48.2347      0.00000
     16      53.7165      0.00000

 k-point   109 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1       3.4022      2.00000
      2       3.5721      2.00000
      3       4.2781      2.00000
      4       5.1326      2.00000
      5       5.5614      2.00000
      6      10.5831      0.00000
      7      13.2461      0.00000
      8      15.7473      0.00000
      9      23.8453      0.00000
     10      27.0186      0.00000
     11      40.3714      0.00000
     12      41.3811      0.00000
     13      41.8691      0.00000
     14      44.8219      0.00000
     15      46.9122      0.00000
     16      54.1098      0.00000

 k-point   110 :       0.3810    0.3810    0.0000
  band No.  band energies     occupation 
      1       2.4984      2.00000
      2       3.2153      2.00000
      3       5.6394      2.00000
      4       5.6394      2.00000
      5       5.6633      2.00000
      6       6.3259      2.00000
      7      18.3588      0.00000
      8      21.3092      0.00000
      9      21.3092      0.00000
     10      25.0849      0.00000
     11      27.6550      0.00000
     12      48.3424      0.00000
     13      49.4685      0.00000
     14      49.4685      0.00000
     15      51.7977      0.00000
     16      53.3608      0.00000

 k-point   111 :       0.4286    0.3810    0.0000
  band No.  band energies     occupation 
      1       2.5861      2.00000
      2       3.1684      2.00000
      3       5.5938      2.00000
      4       5.6248      2.00000
      5       5.7674      2.00000
      6       7.1254      2.00000
      7      17.2343      0.00000
      8      20.2634      0.00000
      9      21.0396      0.00000
     10      25.3701      0.00000
     11      27.9602      0.00000
     12      47.6514      0.00000
     13      49.3670      0.00000
     14      51.4299      0.00000
     15      53.3099      0.00000
     16      54.7312      0.00000

 k-point   112 :       0.4762    0.3810    0.0000
  band No.  band energies     occupation 
      1       2.6891      2.00000
      2       3.1625      2.00000
      3       5.4331      2.00000
      4       5.5848      2.00000
      5       5.8288      2.00000
      6       8.1431      0.00000
      7      16.2777      0.00000
      8      18.5810      0.00000
      9      20.9953      0.00000
     10      25.7601      0.00000
     11      29.1420      0.00000
     12      46.6900      0.00000
     13      48.5135      0.00000
     14      52.9123      0.00000
     15      54.3323      0.00000
     16      55.4100      0.00000

 k-point   113 :      -0.4762    0.3810    0.0000
  band No.  band energies     occupation 
      1       2.8123      2.00000
      2       3.1978      2.00000
      3       5.2234      2.00000
      4       5.5321      2.00000
      5       5.8312      2.00000
      6       9.2798      0.00000
      7      15.5106      0.00000
      8      16.8116      0.00000
      9      21.1795      0.00000
     10      25.9847      0.00000
     11      30.9312      0.00000
     12      45.7422      0.00000
     13      47.5438      0.00000
     14      51.7357      0.00000
     15      52.8385      0.00000
     16      55.7128      0.00000

 k-point   114 :      -0.4286    0.3810    0.0000
  band No.  band energies     occupation 
      1       2.9567      2.00000
      2       3.2686      2.00000
      3       4.9813      2.00000
      4       5.4609      2.00000
      5       5.7866      2.00000
      6      10.4505      0.00000
      7      14.8530      0.00000
      8      15.2563      0.00000
      9      21.5860      0.00000
     10      26.1750      0.00000
     11      33.0470      0.00000
     12      44.7716      0.00000
     13      46.4105      0.00000
     14      49.7393      0.00000
     15      50.8454      0.00000
     16      56.1796      0.00000

 k-point   115 :      -0.3810    0.3810    0.0000
  band No.  band energies     occupation 
      1       3.1189      2.00000
      2       3.3640      2.00000
      3       4.7218      2.00000
      4       5.3608      2.00000
      5       5.7201      2.00000
      6      11.4638      0.00000
      7      13.4223      0.00000
      8      15.0313      0.00000
      9      22.2000      0.00000
     10      26.4004      0.00000
     11      35.3708      0.00000
     12      43.6642      0.00000
     13      44.9617      0.00000
     14      47.9372      0.00000
     15      49.2749      0.00000
     16      56.2554      0.00000

 k-point   116 :       0.4286    0.4286    0.0000
  band No.  band energies     occupation 
      1       2.5836      2.00000
      2       3.1064      2.00000
      3       5.7092      2.00000
      4       5.7965      2.00000
      5       5.7965      2.00000
      6       7.6181      0.00000
      7      16.1425      0.00000
      8      20.6924      0.00000
      9      20.6924      0.00000
     10      24.8922      0.00000
     11      27.4647      0.00000
     12      48.8110      0.00000
     13      51.6224      0.00000
     14      51.6224      0.00000
     15      52.6642      0.00000
     16      56.8862      0.00000

 k-point   117 :       0.4762    0.4286    0.0000
  band No.  band energies     occupation 
      1       2.6189      2.00000
      2       3.0859      2.00000
      3       5.6972      2.00000
      4       5.7521      2.00000
      5       5.8518      2.00000
      6       8.3808      0.00000
      7      15.2777      0.00000
      8      19.8260      0.00000
      9      20.5723      0.00000
     10      25.2098      0.00000
     11      27.8101      0.00000
     12      48.3812      0.00000
     13      51.0917      0.00000
     14      53.0878      0.00000
     15      54.1864      0.00000
     16      56.6760      0.00000

 k-point   118 :      -0.4762    0.4286    0.0000
  band No.  band energies     occupation 
      1       2.6944      2.00000
      2       3.1087      2.00000
      3       5.5629      2.00000
      4       5.6549      2.00000
      5       5.8611      2.00000
      6       9.2396      0.00000
      7      14.7084      0.00000
      8      18.3077      0.00000
      9      20.6858      0.00000
     10      25.6555      0.00000
     11      29.0227      0.00000
     12      47.4363      0.00000
     13      49.9185      0.00000
     14      52.8309      0.00000
     15      53.5633      0.00000
     16      57.0441      0.00000

 k-point   119 :      -0.4286    0.4286    0.0000
  band No.  band energies     occupation 
      1       2.8090      2.00000
      2       3.1720      2.00000
      3       5.2926      2.00000
      4       5.5807      2.00000
      5       5.8303      2.00000
      6       9.9975      0.00000
      7      14.5617      0.00000
      8      16.6774      0.00000
      9      21.0284      0.00000
     10      25.9360      0.00000
     11      30.8650      0.00000
     12      46.2453      0.00000
     13      48.3746      0.00000
     14      51.1757      0.00000
     15      51.9849      0.00000
     16      58.7441      0.00000

 k-point   120 :       0.4762    0.4762    0.0000
  band No.  band energies     occupation 
      1       2.5948      2.00000
      2       3.0499      2.00000
      3       5.7333      2.00000
      4       5.8825      2.00000
      5       5.8825      2.00000
      6       8.7085      0.00000
      7      14.6152      0.00000
      8      20.3753      0.00000
      9      20.3753      0.00000
     10      24.7976      0.00000
     11      27.3783      0.00000
     12      49.0998      0.00000
     13      53.1400      0.00000
     14      53.8983      0.00000
     15      53.8983      0.00000
     16      56.3041      0.00000

 k-point   121 :      -0.4762    0.4762    0.0000
  band No.  band energies     occupation 
      1       2.6202      2.00000
      2       3.0577      2.00000
      3       5.7177      2.00000
      4       5.8043      2.00000
      5       5.8865      2.00000
      6       9.0373      0.00000
      7      14.3982      0.00000
      8      19.6769      0.00000
      9      20.4136      0.00000
     10      25.1573      0.00000
     11      27.7630      0.00000
     12      48.6523      0.00000
     13      51.9838      0.00000
     14      54.2287      0.00000
     15      54.4852      0.00000
     16      55.7952      0.00000

 k-point   122 :       0.1429    0.0952    0.0476
  band No.  band energies     occupation 
      1      -1.3048      2.00000
      2       4.2682      2.00000
      3       4.5054      2.00000
      4       4.5117      2.00000
      5       5.0946      2.00000
      6       5.2388      2.00000
      7      27.3568      0.00000
      8      28.2690      0.00000
      9      30.8015      0.00000
     10      32.1607      0.00000
     11      35.8984      0.00000
     12      36.1308      0.00000
     13      38.0760      0.00000
     14      39.1934      0.00000
     15      41.4275      0.00000
     16      42.9725      0.00000

 k-point   123 :       0.1905    0.0952    0.0476
  band No.  band energies     occupation 
      1      -0.9102      2.00000
      2       4.1953      2.00000
      3       4.5588      2.00000
      4       4.5676      2.00000
      5       5.0555      2.00000
      6       5.2689      2.00000
      7      25.2317      0.00000
      8      27.3037      0.00000
      9      30.7630      0.00000
     10      32.7183      0.00000
     11      34.7832      0.00000
     12      36.5155      0.00000
     13      37.4269      0.00000
     14      40.5183      0.00000
     15      41.4585      0.00000
     16      44.1492      0.00000

 k-point   124 :       0.2381    0.0952    0.0476
  band No.  band energies     occupation 
      1      -0.3754      2.00000
      2       4.1213      2.00000
      3       4.5775      2.00000
      4       4.6201      2.00000
      5       5.0569      2.00000
      6       5.3293      2.00000
      7      22.8064      0.00000
      8      26.7694      0.00000
      9      30.4373      0.00000
     10      33.2378      0.00000
     11      33.6791      0.00000
     12      36.4211      0.00000
     13      37.5257      0.00000
     14      40.6889      0.00000
     15      41.7318      0.00000
     16      45.6413      0.00000

 k-point   125 :       0.2857    0.0952    0.0476
  band No.  band energies     occupation 
      1       0.2740      2.00000
      2       4.0707      2.00000
      3       4.5519      2.00000
      4       4.6303      2.00000
      5       5.1329      2.00000
      6       5.4326      2.00000
      7      20.4370      0.00000
      8      26.3760      0.00000
      9      30.0237      0.00000
     10      32.1276      0.00000
     11      34.0671      0.00000
     12      35.8827      0.00000
     13      38.2484      0.00000
     14      40.3275      0.00000
     15      42.7857      0.00000
     16      46.9735      0.00000

 k-point   126 :       0.3333    0.0952    0.0476
  band No.  band energies     occupation 
      1       0.9864      2.00000
      2       4.0851      2.00000
      3       4.4935      2.00000
      4       4.6006      2.00000
      5       5.2725      2.00000
      6       5.5766      2.00000
      7      18.1741      0.00000
      8      26.1098      0.00000
      9      29.5504      0.00000
     10      31.0336      0.00000
     11      34.1090      0.00000
     12      35.5952      0.00000
     13      38.7373      0.00000
     14      40.6228      0.00000
     15      44.1207      0.00000
     16      48.4095      0.00000

 k-point   127 :       0.3810    0.0952    0.0476
  band No.  band energies     occupation 
      1       1.6612      2.00000
      2       4.2307      2.00000
      3       4.4252      2.00000
      4       4.5536      2.00000
      5       5.4378      2.00000
      6       5.7668      2.00000
      7      16.0484      0.00000
      8      25.9753      0.00000
      9      28.9803      0.00000
     10      30.1797      0.00000
     11      33.8417      0.00000
     12      35.4293      0.00000
     13      38.8105      0.00000
     14      41.8337      0.00000
     15      45.6854      0.00000
     16      49.9367      0.00000

 k-point   128 :       0.4286    0.0952    0.0476
  band No.  band energies     occupation 
      1       2.1564      2.00000
      2       4.3588      2.00000
      3       4.4975      2.00000
      4       4.5691      2.00000
      5       5.5877      2.00000
      6       6.0619      2.00000
      7      14.1015      0.00000
      8      25.9776      0.00000
      9      28.3051      0.00000
     10      29.6232      0.00000
     11      33.5669      0.00000
     12      35.2160      0.00000
     13      38.8189      0.00000
     14      43.5176      0.00000
     15      47.4247      0.00000
     16      51.3312      0.00000

 k-point   129 :       0.4762    0.0952    0.0476
  band No.  band energies     occupation 
      1       2.4164      2.00000
      2       4.3129      2.00000
      3       4.4653      2.00000
      4       4.9346      2.00000
      5       5.6894      2.00000
      6       6.5685      2.00000
      7      12.4243      0.00000
      8      26.1151      0.00000
      9      27.6384      0.00000
     10      29.3004      0.00000
     11      33.3819      0.00000
     12      35.0045      0.00000
     13      38.8405      0.00000
     14      45.4557      0.00000
     15      49.2173      0.00000
     16      51.5263      0.00000

 k-point   130 :      -0.4762    0.0952    0.0476
  band No.  band energies     occupation 
      1       2.5139      2.00000
      2       4.2881      2.00000
      3       4.4450      2.00000
      4       5.1389      2.00000
      5       5.7376      2.00000
      6       7.1425      2.00000
      7      11.2866      0.00000
      8      26.3400      0.00000
      9      27.1290      0.00000
     10      29.1483      0.00000
     11      33.2942      0.00000
     12      34.8758      0.00000
     13      38.8578      0.00000
     14      47.5426      0.00000
     15      49.5852      0.00000
     16      51.0425      0.00000

 k-point   131 :       0.1905    0.1429    0.0476
  band No.  band energies     occupation 
      1      -0.7796      2.00000
      2       4.1312      2.00000
      3       4.6082      2.00000
      4       4.6262      2.00000
      5       4.9916      2.00000
      6       5.3012      2.00000
      7      26.0038      0.00000
      8      26.6723      0.00000
      9      29.6688      0.00000
     10      30.8230      0.00000
     11      34.0815      0.00000
     12      37.7817      0.00000
     13      38.7415      0.00000
     14      41.0895      0.00000
     15      43.0143      0.00000
     16      44.3646      0.00000

 k-point   132 :       0.2381    0.1429    0.0476
  band No.  band energies     occupation 
      1      -0.2976      2.00000
      2       4.0495      2.00000
      3       4.6175      2.00000
      4       4.6959      2.00000
      5       4.9947      2.00000
      6       5.3583      2.00000
      7      23.8152      0.00000
      8      25.8354      0.00000
      9      29.5981      0.00000
     10      31.0496      0.00000
     11      33.2763      0.00000
     12      37.6729      0.00000
     13      38.7522      0.00000
     14      42.1582      0.00000
     15      42.9686      0.00000
     16      46.0649      0.00000

 k-point   133 :       0.2857    0.1429    0.0476
  band No.  band energies     occupation 
      1       0.3058      2.00000
      2       3.9801      2.00000
      3       4.5643      2.00000
      4       4.7271      2.00000
      5       5.0945      2.00000
      6       5.4566      2.00000
      7      21.4348      0.00000
      8      25.3703      0.00000
      9      29.1087      0.00000
     10      30.5505      0.00000
     11      33.9100      0.00000
     12      37.0746      0.00000
     13      38.8390      0.00000
     14      42.0374      0.00000
     15      43.7660      0.00000
     16      47.6084      0.00000

 k-point   134 :       0.3333    0.1429    0.0476
  band No.  band energies     occupation 
      1       0.9887      2.00000
      2       3.9498      2.00000
      3       4.4776      2.00000
      4       4.7134      2.00000
      5       5.2686      2.00000
      6       5.6043      2.00000
      7      19.1366      0.00000
      8      25.0524      0.00000
      9      28.3934      0.00000
     10      29.8352      0.00000
     11      35.2347      0.00000
     12      36.4036      0.00000
     13      38.7280      0.00000
     14      41.8178      0.00000
     15      45.0046      0.00000
     16      49.1335      0.00000

 k-point   135 :       0.3810    0.1429    0.0476
  band No.  band energies     occupation 
      1       1.6693      2.00000
      2       4.0008      2.00000
      3       4.3891      2.00000
      4       4.6744      2.00000
      5       5.4640      2.00000
      6       5.8276      2.00000
      7      16.9594      0.00000
      8      24.8777      0.00000
      9      27.4968      0.00000
     10      29.3744      0.00000
     11      35.7451      0.00000
     12      36.5673      0.00000
     13      38.6649      0.00000
     14      41.7841      0.00000
     15      46.5210      0.00000
     16      50.7099      0.00000

 k-point   136 :       0.4286    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.2137      2.00000
      2       4.1581      2.00000
      3       4.3411      2.00000
      4       4.6282      2.00000
      5       5.6182      2.00000
      6       6.2075      2.00000
      7      14.9363      0.00000
      8      24.8476      0.00000
      9      26.5913      0.00000
     10      29.1135      0.00000
     11      35.1821      0.00000
     12      37.1574      0.00000
     13      39.2168      0.00000
     14      42.1001      0.00000
     15      48.2248      0.00000
     16      52.0649      0.00000

 k-point   137 :       0.4762    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.5268      2.00000
      2       4.2019      2.00000
      3       4.5148      2.00000
      4       4.5970      2.00000
      5       5.7084      2.00000
      6       6.8159      2.00000
      7      13.1268      0.00000
      8      24.9387      0.00000
      9      25.8089      0.00000
     10      28.9984      0.00000
     11      34.7066      0.00000
     12      37.0856      0.00000
     13      40.0082      0.00000
     14      43.1070      0.00000
     15      49.9603      0.00000
     16      51.7725      0.00000

 k-point   138 :      -0.4762    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.6573      2.00000
      2       4.1781      2.00000
      3       4.5483      2.00000
      4       4.7552      2.00000
      5       5.7414      2.00000
      6       7.5645      0.00005
      7      11.7001      0.00000
      8      24.8446      0.00000
      9      25.5017      0.00000
     10      29.0205      0.00000
     11      34.3290      0.00000
     12      36.9051      0.00000
     13      40.4255      0.00000
     14      44.8549      0.00000
     15      49.5930      0.00000
     16      51.5139      0.00000

 k-point   139 :      -0.4286    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.6853      2.00000
      2       4.1764      2.00000
      3       4.5379      2.00000
      4       4.8273      2.00000
      5       5.7237      2.00000
      6       7.8875      0.00000
      7      11.2207      0.00000
      8      24.3791      0.00000
      9      25.8748      0.00000
     10      29.1859      0.00000
     11      34.0528      0.00000
     12      36.7503      0.00000
     13      40.6435      0.00000
     14      46.9524      0.00000
     15      47.4392      0.00000
     16      50.9883      0.00000

 k-point   140 :      -0.3810    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.6327      2.00000
      2       4.2030      2.00000
      3       4.5440      2.00000
      4       4.7245      2.00000
      5       5.6596      2.00000
      6       7.3515      1.94884
      7      12.1168      0.00000
      8      23.9919      0.00000
      9      26.4818      0.00000
     10      29.5001      0.00000
     11      33.8830      0.00000
     12      36.6217      0.00000
     13      40.7936      0.00000
     14      45.2434      0.00000
     15      49.2222      0.00000
     16      49.3522      0.00000

 k-point   141 :      -0.3333    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.4553      2.00000
      2       4.2538      2.00000
      3       4.4494      2.00000
      4       4.5869      2.00000
      5       5.5500      2.00000
      6       6.6637      2.00000
      7      13.7081      0.00000
      8      23.7507      0.00000
      9      27.2468      0.00000
     10      29.9603      0.00000
     11      33.8299      0.00000
     12      36.4704      0.00000
     13      40.8528      0.00000
     14      43.3641      0.00000
     15      47.4247      0.00000
     16      51.5371      0.00000

 k-point   142 :      -0.2857    0.1429    0.0476
  band No.  band energies     occupation 
      1       2.0647      2.00000
      2       4.1632      2.00000
      3       4.3362      2.00000
      4       4.6251      2.00000
      5       5.4007      2.00000
      6       6.1791      2.00000
      7      15.5998      0.00000
      8      23.6630      0.00000
      9      28.1444      0.00000
     10      30.5467      0.00000
     11      33.9116      0.00000
     12      36.2125      0.00000
     13      40.4370      0.00000
     14      42.1938      0.00000
     15      45.7891      0.00000
     16      52.3626      0.00000

 k-point   143 :      -0.2381    0.1429    0.0476
  band No.  band energies     occupation 
      1       1.4562      2.00000
      2       4.0152      2.00000
      3       4.4177      2.00000
      4       4.6764      2.00000
      5       5.2328      2.00000
      6       5.8650      2.00000
      7      17.6786      0.00000
      8      23.7264      0.00000
      9      29.1492      0.00000
     10      31.2101      0.00000
     11      34.1547      0.00000
     12      35.7550      0.00000
     13      39.2905      0.00000
     14      41.9966      0.00000
     15      44.5084      0.00000
     16      51.0747      0.00000

 k-point   144 :      -0.1905    0.1429    0.0476
  band No.  band energies     occupation 
      1       0.7589      2.00000
      2       3.9924      2.00000
      3       4.4988      2.00000
      4       4.7199      2.00000
      5       5.0799      2.00000
      6       5.6390      2.00000
      7      19.8978      0.00000
      8      23.9375      0.00000
      9      30.2193      0.00000
     10      31.8490      0.00000
     11      34.5241      0.00000
     12      35.1631      0.00000
     13      38.1253      0.00000
     14      41.9257      0.00000
     15      43.7672      0.00000
     16      49.4067      0.00000

 k-point   145 :      -0.1429    0.1429    0.0476
  band No.  band energies     occupation 
      1       0.0936      2.00000
      2       4.0393      2.00000
      3       4.5596      2.00000
      4       4.7164      2.00000
      5       4.9937      2.00000
      6       5.4669      2.00000
      7      22.2179      0.00000
      8      24.3032      0.00000
      9      31.2522      0.00000
     10      32.2277      0.00000
     11      34.2996      0.00000
     12      35.4836      0.00000
     13      37.1445      0.00000
     14      41.6904      0.00000
     15      43.4316      0.00000
     16      47.6266      0.00000

 k-point   146 :      -0.0952    0.1429    0.0476
  band No.  band energies     occupation 
      1      -0.4737      2.00000
      2       4.1153      2.00000
      3       4.5811      2.00000
      4       4.6463      2.00000
      5       5.0036      2.00000
      6       5.3446      2.00000
      7      24.3678      0.00000
      8      25.0660      0.00000
      9      31.6089      0.00000
     10      32.3415      0.00000
     11      34.3864      0.00000
     12      36.3960      0.00000
     13      36.4515      0.00000
     14      41.4998      0.00000
     15      42.5673      0.00000
     16      45.8160      0.00000

 k-point   147 :       0.2381    0.1905    0.0476
  band No.  band energies     occupation 
      1      -0.0743      2.00000
      2       3.9573      2.00000
      3       4.6788      2.00000
      4       4.7906      2.00000
      5       4.9436      2.00000
      6       5.3830      2.00000
      7      24.6915      0.00000
      8      25.1802      0.00000
      9      28.5850      0.00000
     10      28.9909      0.00000
     11      31.7239      0.00000
     12      40.0307      0.00000
     13      40.2852      0.00000
     14      42.9721      0.00000
     15      44.5731      0.00000
     16      46.2239      0.00000

 k-point   148 :       0.2857    0.1905    0.0476
  band No.  band energies     occupation 
      1       0.4718      2.00000
      2       3.8740      2.00000
      3       4.5939      2.00000
      4       4.8562      2.00000
      5       5.0698      2.00000
      6       5.4711      2.00000
      7      22.5174      0.00000
      8      24.4676      0.00000
      9      27.9663      0.00000
     10      29.0316      0.00000
     11      31.9022      0.00000
     12      39.4598      0.00000
     13      40.5489      0.00000
     14      43.7412      0.00000
     15      44.9540      0.00000
     16      48.0890      0.00000

 k-point   149 :       0.3333    0.1905    0.0476
  band No.  band energies     occupation 
      1       1.1051      2.00000
      2       3.8148      2.00000
      3       4.4836      2.00000
      4       4.8636      2.00000
      5       5.2760      2.00000
      6       5.6181      2.00000
      7      20.2097      0.00000
      8      24.0814      0.00000
      9      26.8833      0.00000
     10      28.8711      0.00000
     11      33.1336      0.00000
     12      38.6768      0.00000
     13      40.5154      0.00000
     14      43.6248      0.00000
     15      46.0779      0.00000
     16      49.9086      0.00000

 k-point   150 :       0.3810    0.1905    0.0476
  band No.  band energies     occupation 
      1       1.7588      2.00000
      2       3.8045      2.00000
      3       4.3769      2.00000
      4       4.8353      2.00000
      5       5.4930      2.00000
      6       5.8728      2.00000
      7      17.9954      0.00000
      8      23.8518      0.00000
      9      25.7901      0.00000
     10      28.6624      0.00000
     11      34.7522      0.00000
     12      37.9707      0.00000
     13      40.1913      0.00000
     14      43.4633      0.00000
     15      47.5340      0.00000
     16      51.6049      0.00000

 k-point   151 :       0.4286    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.3196      2.00000
      2       3.8698      2.00000
      3       4.3015      2.00000
      4       4.7913      2.00000
      5       5.6439      2.00000
      6       6.3301      2.00000
      7      15.9119      0.00000
      8      23.7680      0.00000
      9      24.7896      0.00000
     10      28.5267      0.00000
     11      36.2217      0.00000
     12      37.6973      0.00000
     13      39.7736      0.00000
     14      43.3674      0.00000
     15      49.2039      0.00000
     16      52.9723      0.00000

 k-point   152 :       0.4762    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.6767      2.00000
      2       3.9700      2.00000
      3       4.3192      2.00000
      4       4.7451      2.00000
      5       5.7260      2.00000
      6       7.0305      2.00000
      7      13.9999      0.00000
      8      23.6412      0.00000
      9      24.1151      0.00000
     10      28.4925      0.00000
     11      36.2463      0.00000
     12      39.0933      0.00000
     13      39.3631      0.00000
     14      43.3740      0.00000
     15      50.8965      0.00000
     16      52.0810      0.00000

 k-point   153 :      -0.4762    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.8418      2.00000
      2       4.0009      2.00000
      3       4.4519      2.00000
      4       4.7053      2.00000
      5       5.7503      2.00000
      6       7.9277      0.00000
      7      12.3537      0.00000
      8      22.9957      0.00000
      9      24.2646      0.00000
     10      28.5777      0.00000
     11      35.8053      0.00000
     12      38.9896      0.00000
     13      41.0912      0.00000
     14      43.5606      0.00000
     15      49.6993      0.00000
     16      52.1985      0.00000

 k-point   154 :      -0.4286    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.8982      2.00000
      2       4.0109      2.00000
      3       4.5491      2.00000
      4       4.6767      2.00000
      5       5.7219      2.00000
      6       8.6347      0.00000
      7      11.3669      0.00000
      8      22.3798      0.00000
      9      24.7004      0.00000
     10      28.7995      0.00000
     11      35.3928      0.00000
     12      38.6637      0.00000
     13      42.6658      0.00000
     14      44.4054      0.00000
     15      47.4081      0.00000
     16      51.1696      0.00000

 k-point   155 :      -0.3810    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.8851      2.00000
      2       4.0436      2.00000
      3       4.5101      2.00000
      4       4.6730      2.00000
      5       5.6462      2.00000
      6       8.2661      0.00000
      7      11.9218      0.00000
      8      21.9059      0.00000
      9      25.3112      0.00000
     10      29.1738      0.00000
     11      35.0518      0.00000
     12      38.3603      0.00000
     13      43.1345      0.00000
     14      45.1543      0.00000
     15      46.5944      0.00000
     16      49.2966      0.00000

 k-point   156 :      -0.3333    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.7813      2.00000
      2       4.1037      2.00000
      3       4.3313      2.00000
      4       4.6931      2.00000
      5       5.5283      2.00000
      6       7.4228      0.94545
      7      13.4341      0.00000
      8      21.5885      0.00000
      9      26.0759      0.00000
     10      29.7133      0.00000
     11      34.7792      0.00000
     12      38.0332      0.00000
     13      42.5096      0.00000
     14      44.0568      0.00000
     15      47.4381      0.00000
     16      49.0612      0.00000

 k-point   157 :      -0.2857    0.1905    0.0476
  band No.  band energies     occupation 
      1       2.5042      2.00000
      2       4.0797      2.00000
      3       4.2109      2.00000
      4       4.7296      2.00000
      5       5.3754      2.00000
      6       6.7307      2.00000
      7      15.2775      0.00000
      8      21.4316      0.00000
      9      26.9787      0.00000
     10      30.4238      0.00000
     11      34.5468      0.00000
     12      37.6115      0.00000
     13      40.8621      0.00000
     14      43.9269      0.00000
     15      46.1029      0.00000
     16      51.5740      0.00000

 k-point   158 :      -0.2381    0.1905    0.0476
  band No.  band energies     occupation 
      1       1.9938      2.00000
      2       3.9440      2.00000
      3       4.3058      2.00000
      4       4.7803      2.00000
      5       5.2017      2.00000
      6       6.2528      2.00000
      7      17.3085      0.00000
      8      21.4358      0.00000
      9      28.0044      0.00000
     10      31.3012      0.00000
     11      34.2774      0.00000
     12      37.0360      0.00000
     13      39.3407      0.00000
     14      43.3812      0.00000
     15      45.6694      0.00000
     16      52.5562      0.00000

 k-point   159 :      -0.1905    0.1905    0.0476
  band No.  band energies     occupation 
      1       1.3409      2.00000
      2       3.9190      2.00000
      3       4.4090      2.00000
      4       4.8383      2.00000
      5       5.0297      2.00000
      6       5.9166      2.00000
      7      19.4690      0.00000
      8      21.6087      0.00000
      9      29.1367      0.00000
     10      32.3192      0.00000
     11      33.8092      0.00000
     12      36.3935      0.00000
     13      38.1302      0.00000
     14      42.6205      0.00000
     15      45.7393      0.00000
     16      50.1347      0.00000

 k-point   160 :      -0.1429    0.1905    0.0476
  band No.  band energies     occupation 
      1       0.6799      2.00000
      2       3.9636      2.00000
      3       4.4993      2.00000
      4       4.8361      2.00000
      5       4.9388      2.00000
      6       5.6620      2.00000
      7      21.5024      0.00000
      8      22.1763      0.00000
      9      30.3415      0.00000
     10      32.8800      0.00000
     11      33.5496      0.00000
     12      35.8279      0.00000
     13      37.3182      0.00000
     14      42.0706      0.00000
     15      45.2247      0.00000
     16      48.4469      0.00000

 k-point   161 :       0.2857    0.2381    0.0476
  band No.  band energies     occupation 
      1       0.7612      2.00000
      2       3.7639      2.00000
      3       4.6485      2.00000
      4       4.9897      2.00000
      5       5.0745      2.00000
      6       5.4798      2.00000
      7      23.4494      0.00000
      8      23.8137      0.00000
      9      26.4982      0.00000
     10      27.6723      0.00000
     11      30.2389      0.00000
     12      41.7885      0.00000
     13      42.4579      0.00000
     14      44.9085      0.00000
     15      46.2001      0.00000
     16      48.1346      0.00000

 k-point   162 :       0.3333    0.2381    0.0476
  band No.  band energies     occupation 
      1       1.3215      2.00000
      2       3.6870      2.00000
      3       4.5452      2.00000
      4       5.0412      2.00000
      5       5.2795      2.00000
      6       5.6161      2.00000
      7      21.3506      0.00000
      8      23.2198      0.00000
      9      25.2867      0.00000
     10      28.0246      0.00000
     11      30.9241      0.00000
     12      40.9596      0.00000
     13      42.7696      0.00000
     14      45.5046      0.00000
     15      47.1101      0.00000
     16      49.9496      0.00000

 k-point   163 :       0.3810    0.2381    0.0476
  band No.  band energies     occupation 
      1       1.9081      2.00000
      2       3.6427      2.00000
      3       4.4382      2.00000
      4       5.0281      2.00000
      5       5.5107      2.00000
      6       5.8945      2.00000
      7      19.1379      0.00000
      8      22.9190      0.00000
      9      24.1086      0.00000
     10      28.0242      0.00000
     11      32.3790      0.00000
     12      40.0968      0.00000
     13      42.5682      0.00000
     14      45.4958      0.00000
     15      48.5778      0.00000
     16      52.1988      0.00000

 k-point   164 :       0.4286    0.2381    0.0476
  band No.  band energies     occupation 
      1       2.4329      2.00000
      2       3.6476      2.00000
      3       4.3495      2.00000
      4       4.9884      2.00000
      5       5.6610      2.00000
      6       6.4189      2.00000
      7      17.0189      0.00000
      8      22.7071      0.00000
      9      23.1159      0.00000
     10      27.9699      0.00000
     11      34.1616      0.00000
     12      39.3140      0.00000
     13      42.1312      0.00000
     14      45.4792      0.00000
     15      50.2590      0.00000
     16      53.9910      0.00000

 k-point   165 :       0.4762    0.2381    0.0476
  band No.  band energies     occupation 
      1       2.8041      2.00000
      2       3.7033      2.00000
      3       4.3077      2.00000
      4       4.9393      2.00000
      5       5.7408      2.00000
      6       7.1995      2.00000
      7      15.0366      0.00000
      8      21.9711      0.00000
      9      22.9489      0.00000
     10      27.9732      0.00000
     11      36.0409      0.00000
     12      38.7215      0.00000
     13      41.6487      0.00000
     14      45.5110      0.00000
     15      51.9756      0.00000
     16      52.3835      0.00000

 k-point   166 :      -0.4762    0.2381    0.0476
  band No.  band energies     occupation 
      1       3.0069      2.00000
      2       3.7650      2.00000
      3       4.3313      2.00000
      4       4.8905      2.00000
      5       5.7624      2.00000
      6       8.2059      0.00000
      7      13.2446      0.00000
      8      21.1534      0.00000
      9      23.1796      0.00000
     10      28.0722      0.00000
     11      37.2216      0.00000
     12      39.0539      0.00000
     13      41.2129      0.00000
     14      45.6058      0.00000
     15      49.9121      0.00000
     16      52.9938      0.00000

 k-point   167 :      -0.4286    0.2381    0.0476
  band No.  band energies     occupation 
      1       3.1033      2.00000
      2       3.8039      2.00000
      3       4.3740      2.00000
      4       4.8498      2.00000
      5       5.7295      2.00000
      6       9.2503      0.00000
      7      11.8326      0.00000
      8      20.4653      0.00000
      9      23.6025      0.00000
     10      28.2897      0.00000
     11      37.0194      0.00000
     12      40.4123      0.00000
     13      41.3965      0.00000
     14      45.7160      0.00000
     15      47.5747      0.00000
     16      51.4517      0.00000

 k-point   168 :      -0.3810    0.2381    0.0476
  band No.  band energies     occupation 
      1       3.1353      2.00000
      2       3.8496      2.00000
      3       4.3514      2.00000
      4       4.8271      2.00000
      5       5.6482      2.00000
      6       9.2931      0.00000
      7      11.8369      0.00000
      8      19.9264      0.00000
      9      24.1969      0.00000
     10      28.6441      0.00000
     11      36.6190      0.00000
     12      40.1888      0.00000
     13      43.5346      0.00000
     14      44.9797      0.00000
     15      46.2794      0.00000
     16      49.4945      0.00000

 k-point   169 :      -0.3333    0.2381    0.0476
  band No.  band energies     occupation 
      1       3.0969      2.00000
      2       3.9247      2.00000
      3       4.2237      2.00000
      4       4.8286      2.00000
      5       5.5263      2.00000
      6       8.3346      0.00000
      7      13.2658      0.00000
      8      19.5465      0.00000
      9      24.9464      0.00000
     10      29.1501      0.00000
     11      36.2284      0.00000
     12      39.7535      0.00000
     13      42.8706      0.00000
     14      46.0689      0.00000
     15      46.2263      0.00000
     16      47.9937      0.00000

 k-point   170 :      -0.2857    0.2381    0.0476
  band No.  band energies     occupation 
      1       2.9275      2.00000
      2       3.9966      2.00000
      3       4.0694      2.00000
      4       4.8500      2.00000
      5       5.3738      2.00000
      6       7.4371      0.63791
      7      15.0641      0.00000
      8      19.3339      0.00000
      9      25.8338      0.00000
     10      29.8168      0.00000
     11      35.8208      0.00000
     12      39.1918      0.00000
     13      41.0431      0.00000
     14      45.1657      0.00000
     15      47.6354      0.00000
     16      48.9090      0.00000

 k-point   171 :      -0.2381    0.2381    0.0476
  band No.  band energies     occupation 
      1       2.5384      2.00000
      2       3.8956      2.00000
      3       4.1670      2.00000
      4       4.8841      2.00000
      5       5.2059      2.00000
      6       6.7625      2.00000
      7      17.0256      0.00000
      8      19.3072      0.00000
      9      26.8420      0.00000
     10      30.6413      0.00000
     11      35.2850      0.00000
     12      38.4425      0.00000
     13      39.5619      0.00000
     14      44.0058      0.00000
     15      47.9718      0.00000
     16      51.2998      0.00000

 k-point   172 :      -0.1905    0.2381    0.0476
  band No.  band energies     occupation 
      1       1.9662      2.00000
      2       3.8750      2.00000
      3       4.2935      2.00000
      4       4.9123      2.00000
      5       5.0549      2.00000
      6       6.2773      2.00000
      7      18.8580      0.00000
      8      19.7108      0.00000
      9      27.9535      0.00000
     10      31.5847      0.00000
     11      34.4993      0.00000
     12      37.5251      0.00000
     13      38.5530      0.00000
     14      43.1702      0.00000
     15      47.6792      0.00000
     16      50.0566      0.00000

 k-point   173 :       0.3333    0.2857    0.0476
  band No.  band energies     occupation 
      1       1.6119      2.00000
      2       3.5690      2.00000
      3       4.6900      2.00000
      4       5.2105      2.00000
      5       5.3066      2.00000
      6       5.6001      2.00000
      7      22.3120      0.00000
      8      22.5831      0.00000
      9      23.7550      0.00000
     10      26.9484      0.00000
     11      29.3462      0.00000
     12      43.2263      0.00000
     13      44.8964      0.00000
     14      47.1015      0.00000
     15      47.6303      0.00000
     16      50.1406      0.00000

 k-point   174 :       0.3810    0.2857    0.0476
  band No.  band energies     occupation 
      1       2.0852      2.00000
      2       3.5058      2.00000
      3       4.6262      2.00000
      4       5.2414      2.00000
      5       5.5154      2.00000
      6       5.8915      2.00000
      7      20.3314      0.00000
      8      22.0750      0.00000
      9      22.5561      0.00000
     10      27.3504      0.00000
     11      30.2142      0.00000
     12      42.3243      0.00000
     13      45.0478      0.00000
     14      47.5920      0.00000
     15      49.1771      0.00000
     16      51.8001      0.00000

 k-point   175 :       0.4286    0.2857    0.0476
  band No.  band energies     occupation 
      1       2.5097      2.00000
      2       3.4800      2.00000
      3       4.5469      2.00000
      4       5.2074      2.00000
      5       5.6683      2.00000
      6       6.4781      2.00000
      7      18.2322      0.00000
      8      21.2965      0.00000
      9      22.0132      0.00000
     10      27.4485      0.00000
     11      31.7844      0.00000
     12      41.4273      0.00000
     13      44.5935      0.00000
     14      47.8247      0.00000
     15      51.0744      0.00000
     16      53.6408      0.00000

 k-point   176 :       0.4762    0.2857    0.0476
  band No.  band energies     occupation 
      1       2.8356      2.00000
      2       3.4966      2.00000
      3       4.4742      2.00000
      4       5.1556      2.00000
      5       5.7523      2.00000
      6       7.3319      1.98769
      7      16.2191      0.00000
      8      20.3028      0.00000
      9      22.0042      0.00000
     10      27.4979      0.00000
     11      33.6833      0.00000
     12      40.6109      0.00000
     13      43.9975      0.00000
     14      48.0243      0.00000
     15      52.5914      0.00000
     16      53.1308      0.00000

 k-point   177 :      -0.4762    0.2857    0.0476
  band No.  band energies     occupation 
      1       3.0558      2.00000
      2       3.5440      2.00000
      3       4.4184      2.00000
      4       5.0986      2.00000
      5       5.7768      2.00000
      6       8.4142      0.00000
      7      14.3449      0.00000
      8      19.4264      0.00000
      9      22.2060      0.00000
     10      27.6021      0.00000
     11      35.7552      0.00000
     12      39.9133      0.00000
     13      43.4006      0.00000
     14      48.2326      0.00000
     15      50.2353      0.00000
     16      53.7729      0.00000

 k-point   178 :      -0.4286    0.2857    0.0476
  band No.  band energies     occupation 
      1       3.2037      2.00000
      2       3.5967      2.00000
      3       4.3705      2.00000
      4       5.0444      2.00000
      5       5.7455      2.00000
      6       9.6482      0.00000
      7      12.6850      0.00000
      8      18.6901      0.00000
      9      22.5984      0.00000
     10      27.7995      0.00000
     11      37.7834      0.00000
     12      39.4962      0.00000
     13      42.8333      0.00000
     14      47.6951      0.00000
     15      48.5976      0.00000
     16      51.8356      0.00000

 k-point   179 :      -0.3810    0.2857    0.0476
  band No.  band energies     occupation 
      1       3.3045      2.00000
      2       3.6517      2.00000
      3       4.2990      2.00000
      4       5.0011      2.00000
      5       5.6655      2.00000
      6      10.3794      0.00000
      7      11.8897      0.00000
      8      18.1060      0.00000
      9      23.1675      0.00000
     10      28.1117      0.00000
     11      38.3204      0.00000
     12      40.7167      0.00000
     13      42.3037      0.00000
     14      45.4653      0.00000
     15      48.6273      0.00000
     16      50.0367      0.00000

 k-point   180 :      -0.3333    0.2857    0.0476
  band No.  band energies     occupation 
      1       3.3421      2.00000
      2       3.7363      2.00000
      3       4.1729      2.00000
      4       4.9750      2.00000
      5       5.5483      2.00000
      6       9.4020      0.00000
      7      13.1620      0.00000
      8      17.6895      0.00000
      9      23.8960      0.00000
     10      28.5542      0.00000
     11      37.8830      0.00000
     12      41.5387      0.00000
     13      42.7245      0.00000
     14      43.8820      0.00000
     15      47.4634      0.00000
     16      49.7895      0.00000

 k-point   181 :      -0.2857    0.2857    0.0476
  band No.  band energies     occupation 
      1       3.2664      2.00000
      2       3.8625      2.00000
      3       4.0110      2.00000
      4       4.9624      2.00000
      5       5.4103      2.00000
      6       8.3201      0.00000
      7      14.8737      0.00000
      8      17.4790      0.00000
      9      24.7644      0.00000
     10      29.1348      0.00000
     11      37.2775      0.00000
     12      40.7878      0.00000
     13      41.4360      0.00000
     14      45.3607      0.00000
     15      46.5922      0.00000
     16      50.2586      0.00000

 k-point   182 :      -0.2381    0.2857    0.0476
  band No.  band energies     occupation 
      1       2.9973      2.00000
      2       3.9033      2.00000
      3       4.0148      2.00000
      4       4.9440      2.00000
      5       5.2803      2.00000
      6       7.4378      0.62249
      7      16.4522      0.00000
      8      17.7419      0.00000
      9      25.7529      0.00000
     10      29.8468      0.00000
     11      36.4124      0.00000
     12      39.7453      0.00000
     13      40.2085      0.00000
     14      44.6716      0.00000
     15      48.8508      0.00000
     16      50.3159      0.00000

 k-point   183 :       0.3810    0.3333    0.0476
  band No.  band energies     occupation 
      1       2.2595      2.00000
      2       3.3897      2.00000
      3       4.9581      2.00000
      4       5.4347      2.00000
      5       5.5422      2.00000
      6       5.8812      2.00000
      7      20.9373      0.00000
      8      21.3215      0.00000
      9      21.6490      0.00000
     10      26.4009      0.00000
     11      28.7684      0.00000
     12      44.6254      0.00000
     13      47.1980      0.00000
     14      48.7928      0.00000
     15      49.7432      0.00000
     16      52.1596      0.00000

 k-point   184 :       0.4286    0.3333    0.0476
  band No.  band energies     occupation 
      1       2.5427      2.00000
      2       3.3466      2.00000
      3       4.9022      2.00000
      4       5.4341      2.00000
      5       5.6648      2.00000
      6       6.5348      2.00000
      7      19.4634      0.00000
      8      19.8340      0.00000
      9      21.2607      0.00000
     10      26.8644      0.00000
     11      29.7167      0.00000
     12      43.6757      0.00000
     13      47.0889      0.00000
     14      49.9526      0.00000
     15      51.1162      0.00000
     16      53.9966      0.00000

 k-point   185 :       0.4762    0.3333    0.0476
  band No.  band energies     occupation 
      1       2.7770      2.00000
      2       3.3429      2.00000
      3       4.8059      2.00000
      4       5.3765      2.00000
      5       5.7601      2.00000
      6       7.4532      0.35343
      7      17.5113      0.00000
      8      18.7680      0.00000
      9      21.2054      0.00000
     10      27.0525      0.00000
     11      31.3589      0.00000
     12      42.7664      0.00000
     13      46.4011      0.00000
     14      50.6125      0.00000
     15      52.6026      0.00000
     16      53.9196      0.00000

 k-point   186 :      -0.4762    0.3333    0.0476
  band No.  band energies     occupation 
      1       2.9683      2.00000
      2       3.3763      2.00000
      3       4.6918      2.00000
      4       5.3101      2.00000
      5       5.7939      2.00000
      6       8.5801      0.00000
      7      15.6142      0.00000
      8      17.8614      0.00000
      9      21.3585      0.00000
     10      27.1882      0.00000
     11      33.3461      0.00000
     12      41.9340      0.00000
     13      45.6758      0.00000
     14      50.6551      0.00000
     15      51.0141      0.00000
     16      54.2792      0.00000

 k-point   187 :      -0.4286    0.3333    0.0476
  band No.  band energies     occupation 
      1       3.1333      2.00000
      2       3.4340      2.00000
      3       4.5635      2.00000
      4       5.2419      2.00000
      5       5.7699      2.00000
      6       9.8725      0.00000
      7      13.8500      0.00000
      8      17.1076      0.00000
      9      21.7101      0.00000
     10      27.3734      0.00000
     11      35.5373      0.00000
     12      41.1761      0.00000
     13      44.9578      0.00000
     14      48.2648      0.00000
     15      51.2318      0.00000
     16      52.4441      0.00000

 k-point   188 :      -0.3810    0.3333    0.0476
  band No.  band energies     occupation 
      1       3.2874      2.00000
      2       3.4993      2.00000
      3       4.4163      2.00000
      4       5.1763      2.00000
      5       5.6987      2.00000
      6      11.1914      0.00000
      7      12.3521      0.00000
      8      16.5257      0.00000
      9      22.2465      0.00000
     10      27.6466      0.00000
     11      37.8625      0.00000
     12      40.4694      0.00000
     13      44.2070      0.00000
     14      46.0189      0.00000
     15      49.9505      0.00000
     16      52.1005      0.00000

 k-point   189 :      -0.3333    0.3333    0.0476
  band No.  band energies     occupation 
      1       3.4194      2.00000
      2       3.5716      2.00000
      3       4.2476      2.00000
      4       5.1144      2.00000
      5       5.5974      2.00000
      6      10.6274      0.00000
      7      12.9838      0.00000
      8      16.1732      0.00000
      9      22.9489      0.00000
     10      28.0272      0.00000
     11      39.5049      0.00000
     12      40.4716      0.00000
     13      43.3307      0.00000
     14      44.1010      0.00000
     15      48.2077      0.00000
     16      52.5767      0.00000

 k-point   190 :      -0.2857    0.3333    0.0476
  band No.  band energies     occupation 
      1       3.4380      2.00000
      2       3.6978      2.00000
      3       4.0855      2.00000
      4       5.0486      2.00000
      5       5.4910      2.00000
      6       9.3913      0.00000
      7      14.2913      0.00000
      8      16.3025      0.00000
      9      23.7956      0.00000
     10      28.5250      0.00000
     11      38.5952      0.00000
     12      41.9541      0.00000
     13      42.3195      0.00000
     14      43.4665      0.00000
     15      46.9143      0.00000
     16      53.1775      0.00000

 k-point   191 :       0.4286    0.3810    0.0476
  band No.  band energies     occupation 
      1       2.5592      2.00000
      2       3.2410      2.00000
      3       5.3120      2.00000
      4       5.6388      2.00000
      5       5.6557      2.00000
      6       6.6834      2.00000
      7      18.4357      0.00000
      8      20.5235      0.00000
      9      20.7862      0.00000
     10      26.0106      0.00000
     11      28.3982      0.00000
     12      45.9655      0.00000
     13      49.4074      0.00000
     14      49.8338      0.00000
     15      52.7973      0.00000
     16      53.6219      0.00000

 k-point   192 :       0.4762    0.3810    0.0476
  band No.  band energies     occupation 
      1       2.6961      2.00000
      2       3.2227      2.00000
      3       5.2068      2.00000
      4       5.5789      2.00000
      5       5.7666      2.00000
      6       7.6151      0.00000
      7      17.3820      0.00000
      8      18.8631      0.00000
      9      20.5693      0.00000
     10      26.5343      0.00000
     11      29.3934      0.00000
     12      45.0037      0.00000
     13      48.8357      0.00000
     14      51.7994      0.00000
     15      53.4631      0.00000
     16      54.1447      0.00000

 k-point   193 :      -0.4762    0.3810    0.0476
  band No.  band energies     occupation 
      1       2.8346      2.00000
      2       3.2453      2.00000
      3       5.0565      2.00000
      4       5.5008      2.00000
      5       5.8158      2.00000
      6       8.7277      0.00000
      7      16.4746      0.00000
      8      17.0339      0.00000
      9      20.6612      0.00000
     10      26.8033      0.00000
     11      31.0891      0.00000
     12      44.0727      0.00000
     13      47.9939      0.00000
     14      51.2585      0.00000
     15      53.4364      0.00000
     16      54.6718      0.00000

 k-point   194 :      -0.4286    0.3810    0.0476
  band No.  band energies     occupation 
      1       2.9805      2.00000
      2       3.3038      2.00000
      3       4.8709      2.00000
      4       5.4199      2.00000
      5       5.8038      2.00000
      6       9.9673      0.00000
      7      15.1960      0.00000
      8      15.8236      0.00000
      9      20.9627      0.00000
     10      27.0125      0.00000
     11      33.1486      0.00000
     12      43.1654      0.00000
     13      47.1185      0.00000
     14      48.9885      0.00000
     15      52.6497      0.00000
     16      54.5174      0.00000

 k-point   195 :      -0.3810    0.3810    0.0476
  band No.  band energies     occupation 
      1       3.1374      2.00000
      2       3.3862      2.00000
      3       4.6589      2.00000
      4       5.3333      2.00000
      5       5.7472      2.00000
      6      11.2546      0.00000
      7      13.5410      0.00000
      8      15.3572      0.00000
      9      21.4584      0.00000
     10      27.2645      0.00000
     11      35.4248      0.00000
     12      42.2057      0.00000
     13      46.1265      0.00000
     14      46.8877      0.00000
     15      50.8012      0.00000
     16      54.9576      0.00000

 k-point   196 :      -0.3333    0.3810    0.0476
  band No.  band energies     occupation 
      1       3.3013      2.00000
      2       3.4749      2.00000
      3       4.4367      2.00000
      4       5.2340      2.00000
      5       5.6696      2.00000
      6      12.0054      0.00000
      7      12.3861      0.00000
      8      15.3585      0.00000
      9      22.1283      0.00000
     10      27.5974      0.00000
     11      37.8540      0.00000
     12      41.0502      0.00000
     13      44.8845      0.00000
     14      45.2023      0.00000
     15      49.2596      0.00000
     16      55.1395      0.00000

 k-point   197 :       0.4762    0.4286    0.0476
  band No.  band energies     occupation 
      1       2.6376      2.00000
      2       3.1350      2.00000
      3       5.5450      2.00000
      4       5.7099      2.00000
      5       5.7962      2.00000
      6       7.9028      0.00000
      7      16.2099      0.00000
      8      19.9610      0.00000
      9      20.2080      0.00000
     10      25.7604      0.00000
     11      28.1799      0.00000
     12      47.1405      0.00000
     13      50.8226      0.00000
     14      51.6413      0.00000
     15      53.9401      0.00000
     16      56.1003      0.00000

 k-point   198 :      -0.4762    0.4286    0.0476
  band No.  band energies     occupation 
      1       2.7193      2.00000
      2       3.1444      2.00000
      3       5.4134      2.00000
      4       5.6405      2.00000
      5       5.8480      2.00000
      6       8.8686      0.00000
      7      15.3949      0.00000
      8      18.4600      0.00000
      9      20.1419      0.00000
     10      26.3426      0.00000
     11      29.2135      0.00000
     12      46.1588      0.00000
     13      50.2074      0.00000
     14      52.0903      0.00000
     15      53.6950      0.00000
     16      56.6853      0.00000

 k-point   199 :      -0.4286    0.4286    0.0476
  band No.  band energies     occupation 
      1       2.8324      2.00000
      2       3.1952      2.00000
      3       5.2018      2.00000
      4       5.5567      2.00000
      5       5.8460      2.00000
      6       9.8872      0.00000
      7      14.8522      0.00000
      8      16.7629      0.00000
      9      20.3826      0.00000
     10      26.6828      0.00000
     11      30.9593      0.00000
     12      45.0680      0.00000
     13      49.1862      0.00000
     14      50.0160      0.00000
     15      53.5036      0.00000
     16      57.0109      0.00000

 k-point   200 :      -0.3810    0.4286    0.0476
  band No.  band energies     occupation 
      1       2.9744      2.00000
      2       3.2802      2.00000
      3       4.9384      2.00000
      4       5.4594      2.00000
      5       5.8033      2.00000
      6      10.7698      0.00000
      7      14.6597      0.00000
      8      15.2031      0.00000
      9      20.8288      0.00000
     10      26.9556      0.00000
     11      33.0838      0.00000
     12      43.7806      0.00000
     13      47.8489      0.00000
     14      48.1940      0.00000
     15      51.9848      0.00000
     16      57.4181      0.00000

 k-point   201 :      -0.4762    0.4762    0.0476
  band No.  band energies     occupation 
      1       2.6454      2.00000
      2       3.0799      2.00000
      3       5.6714      2.00000
      4       5.7203      2.00000
      5       5.8825      2.00000
      6       8.9874      0.00000
      7      14.6615      0.00000
      8      19.6696      0.00000
      9      19.9114      0.00000
     10      25.6384      0.00000
     11      28.0793      0.00000
     12      47.8969      0.00000
     13      51.7213      0.00000
     14      53.1853      0.00000
     15      53.9559      0.00000
     16      56.3610      0.00000

 k-point   202 :      -0.4286    0.4762    0.0476
  band No.  band energies     occupation 
      1       2.7176      2.00000
      2       3.1177      2.00000
      3       5.4935      2.00000
      4       5.6453      2.00000
      5       5.8816      2.00000
      6       9.5486      0.00000
      7      14.4806      0.00000
      8      18.3229      0.00000
      9      19.9968      0.00000
     10      26.2797      0.00000
     11      29.1560      0.00000
     12      46.6877      0.00000
     13      50.9489      0.00000
     14      51.3731      0.00000
     15      54.5919      0.00000
     16      56.0194      0.00000

 k-point   203 :       0.2857    0.1905    0.0952
  band No.  band energies     occupation 
      1       0.2153      2.00000
      2       3.9659      2.00000
      3       4.5737      2.00000
      4       4.8001      2.00000
      5       4.9899      2.00000
      6       5.4720      2.00000
      7      23.0331      0.00000
      8      23.6513      0.00000
      9      29.7736      0.00000
     10      30.6776      0.00000
     11      33.0159      0.00000
     12      37.5777      0.00000
     13      38.5859      0.00000
     14      43.0785      0.00000
     15      44.1500      0.00000
     16      47.4470      0.00000

 k-point   204 :       0.3333    0.1905    0.0952
  band No.  band energies     occupation 
      1       0.8335      2.00000
      2       3.8986      2.00000
      3       4.4875      2.00000
      4       4.8515      2.00000
      5       5.0652      2.00000
      6       5.6481      2.00000
      7      20.9226      0.00000
      8      22.9998      0.00000
      9      28.5857      0.00000
     10      30.9839      0.00000
     11      33.6079      0.00000
     12      36.8360      0.00000
     13      39.0695      0.00000
     14      43.4498      0.00000
     15      44.9159      0.00000
     16      49.2559      0.00000

 k-point   205 :       0.3810    0.1905    0.0952
  band No.  band energies     occupation 
      1       1.5036      2.00000
      2       3.8739      2.00000
      3       4.3844      2.00000
      4       4.8245      2.00000
      5       5.2313      2.00000
      6       5.8942      2.00000
      7      18.6788      0.00000
      8      22.7264      0.00000
      9      27.4114      0.00000
     10      30.8169      0.00000
     11      34.5629      0.00000
     12      36.5273      0.00000
     13      39.3827      0.00000
     14      43.7278      0.00000
     15      45.4742      0.00000
     16      51.5937      0.00000

 k-point   206 :       0.4286    0.1905    0.0952
  band No.  band energies     occupation 
      1       2.1257      2.00000
      2       3.9294      2.00000
      3       4.2874      2.00000
      4       4.7769      2.00000
      5       5.4128      2.00000
      6       6.2508      2.00000
      7      16.5486      0.00000
      8      22.6156      0.00000
      9      26.3289      0.00000
     10      30.5378      0.00000
     11      34.7162      0.00000
     12      37.3931      0.00000
     13      39.6023      0.00000
     14      43.6266      0.00000
     15      46.6635      0.00000
     16      53.1601      0.00000

 k-point   207 :       0.4762    0.1905    0.0952
  band No.  band energies     occupation 
      1       2.5661      2.00000
      2       4.0579      2.00000
      3       4.2516      2.00000
      4       4.7295      2.00000
      5       5.5638      2.00000
      6       6.7974      2.00000
      7      14.5743      0.00000
      8      22.6620      0.00000
      9      25.3659      0.00000
     10      30.2732      0.00000
     11      34.4419      0.00000
     12      38.5525      0.00000
     13      40.1654      0.00000
     14      43.4613      0.00000
     15      48.2675      0.00000
     16      51.7305      0.00000

 k-point   208 :      -0.4762    0.1905    0.0952
  band No.  band energies     occupation 
      1       2.7844      2.00000
      2       4.0680      2.00000
      3       4.4104      2.00000
      4       4.6907      2.00000
      5       5.6630      2.00000
      6       7.5755      0.00001
      7      12.8245      0.00000
      8      22.8635      0.00000
      9      24.5429      0.00000
     10      30.0727      0.00000
     11      34.2060      0.00000
     12      38.9385      0.00000
     13      41.4976      0.00000
     14      43.5710      0.00000
     15      49.3260      0.00000
     16      50.0494      0.00000

 k-point   209 :      -0.4286    0.1905    0.0952
  band No.  band energies     occupation 
      1       2.8624      2.00000
      2       4.0419      2.00000
      3       4.5590      2.00000
      4       4.6618      2.00000
      5       5.7100      2.00000
      6       8.3827      0.00000
      7      11.5379      0.00000
      8      23.1857      0.00000
      9      23.9067      0.00000
     10      29.9652      0.00000
     11      34.0829      0.00000
     12      39.0018      0.00000
     13      42.3035      0.00000
     14      44.7134      0.00000
     15      46.9727      0.00000
     16      51.6416      0.00000

 k-point   210 :       0.3333    0.2381    0.0952
  band No.  band energies     occupation 
      1       1.0266      2.00000
      2       3.7938      2.00000
      3       4.4982      2.00000
      4       4.9931      2.00000
      5       5.1000      2.00000
      6       5.6402      2.00000
      7      21.8177      0.00000
      8      22.3881      0.00000
      9      26.9004      0.00000
     10      29.7559      0.00000
     11      31.9304      0.00000
     12      38.8446      0.00000
     13      41.0580      0.00000
     14      45.0913      0.00000
     15      45.7767      0.00000
     16      48.8738      0.00000

 k-point   211 :       0.3810    0.2381    0.0952
  band No.  band energies     occupation 
      1       1.6409      2.00000
      2       3.7408      2.00000
      3       4.3853      2.00000
      4       5.0147      2.00000
      5       5.2438      2.00000
      6       5.9046      2.00000
      7      19.7762      0.00000
      8      21.8452      0.00000
      9      25.6752      0.00000
     10      30.0885      0.00000
     11      32.8567      0.00000
     12      38.0487      0.00000
     13      41.5059      0.00000
     14      45.4837      0.00000
     15      46.7094      0.00000
     16      50.5258      0.00000

 k-point   212 :       0.4286    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.2345      2.00000
      2       3.7372      2.00000
      3       4.2764      2.00000
      4       4.9720      2.00000
      5       5.4328      2.00000
      6       6.3063      2.00000
      7      17.6214      0.00000
      8      21.6715      0.00000
      9      24.5389      0.00000
     10      30.0505      0.00000
     11      34.2713      0.00000
     12      37.4929      0.00000
     13      41.6469      0.00000
     14      45.4955      0.00000
     15      47.7954      0.00000
     16      52.8439      0.00000

 k-point   213 :       0.4762    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.6939      2.00000
      2       3.7978      2.00000
      3       4.2045      2.00000
      4       4.9192      2.00000
      5       5.5838      2.00000
      6       6.9191      2.00000
      7      15.5876      0.00000
      8      21.6685      0.00000
      9      23.5250      0.00000
     10      29.9735      0.00000
     11      35.2650      0.00000
     12      37.7632      0.00000
     13      41.5991      0.00000
     14      45.2956      0.00000
     15      49.3310      0.00000
     16      51.9746      0.00000

 k-point   214 :      -0.4762    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.9521      2.00000
      2       3.8598      2.00000
      3       4.2340      2.00000
      4       4.8670      2.00000
      5       5.6763      2.00000
      6       7.7789      0.00000
      7      13.7256      0.00000
      8      21.8164      0.00000
      9      22.6614      0.00000
     10      29.9575      0.00000
     11      35.2631      0.00000
     12      39.3347      0.00000
     13      41.4637      0.00000
     14      45.1191      0.00000
     15      49.4519      0.00000
     16      51.0669      0.00000

 k-point   215 :      -0.4286    0.2381    0.0952
  band No.  band energies     occupation 
      1       3.0631      2.00000
      2       3.8630      2.00000
      3       4.3400      2.00000
      4       4.8224      2.00000
      5       5.7113      2.00000
      6       8.7908      0.00000
      7      12.1538      0.00000
      8      21.7801      0.00000
      9      22.2912      0.00000
     10      30.0404      0.00000
     11      34.9766      0.00000
     12      41.2819      0.00000
     13      41.4581      0.00000
     14      44.9762      0.00000
     15      47.0467      0.00000
     16      52.5005      0.00000

 k-point   216 :      -0.3810    0.2381    0.0952
  band No.  band energies     occupation 
      1       3.0944      2.00000
      2       3.8683      2.00000
      3       4.3792      2.00000
      4       4.8003      2.00000
      5       5.6957      2.00000
      6       9.2803      0.00000
      7      11.5386      0.00000
      8      21.2429      0.00000
      9      22.7353      0.00000
     10      30.2426      0.00000
     11      34.7015      0.00000
     12      41.0930      0.00000
     13      43.7056      0.00000
     14      44.1182      0.00000
     15      45.6901      0.00000
     16      51.9406      0.00000

 k-point   217 :      -0.3333    0.2381    0.0952
  band No.  band energies     occupation 
      1       3.0612      2.00000
      2       3.9052      2.00000
      3       4.2899      2.00000
      4       4.8152      2.00000
      5       5.6339      2.00000
      6       8.4898      0.00000
      7      12.6358      0.00000
      8      20.8127      0.00000
      9      23.3857      0.00000
     10      30.5734      0.00000
     11      34.4825      0.00000
     12      40.7922      0.00000
     13      42.1356      0.00000
     14      45.3241      0.00000
     15      46.5977      0.00000
     16      50.1794      0.00000

 k-point   218 :      -0.2857    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.9259      2.00000
      2       3.9454      2.00000
      3       4.1400      2.00000
      4       4.8538      2.00000
      5       5.5260      2.00000
      6       7.5407      0.00067
      7      14.3353      0.00000
      8      20.5395      0.00000
      9      24.1881      0.00000
     10      31.0275      0.00000
     11      34.3028      0.00000
     12      39.6548      0.00000
     13      41.0511      0.00000
     14      45.6462      0.00000
     15      48.3683      0.00000
     16      49.1562      0.00000

 k-point   219 :      -0.2381    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.6015      2.00000
      2       3.8683      2.00000
      3       4.1540      2.00000
      4       4.9036      2.00000
      5       5.3744      2.00000
      6       6.8017      2.00000
      7      16.2614      0.00000
      8      20.4322      0.00000
      9      25.1275      0.00000
     10      31.5749      0.00000
     11      34.0820      0.00000
     12      38.0159      0.00000
     13      40.7038      0.00000
     14      45.5646      0.00000
     15      47.2864      0.00000
     16      51.6913      0.00000

 k-point   220 :      -0.1905    0.2381    0.0952
  band No.  band energies     occupation 
      1       2.0704      2.00000
      2       3.8143      2.00000
      3       4.2631      2.00000
      4       4.9593      2.00000
      5       5.1944      2.00000
      6       6.2835      2.00000
      7      18.3279      0.00000
      8      20.5026      0.00000
      9      26.1920      0.00000
     10      32.1141      0.00000
     11      33.6333      0.00000
     12      36.8820      0.00000
     13      40.3077      0.00000
     14      44.7727      0.00000
     15      47.1313      0.00000
     16      51.1093      0.00000

 k-point   221 :      -0.1429    0.2381    0.0952
  band No.  band energies     occupation 
      1       1.4438      2.00000
      2       3.8350      2.00000
      3       4.3815      2.00000
      4       5.0098      2.00000
      5       5.0182      2.00000
      6       5.9179      2.00000
      7      20.2742      0.00000
      8      20.9761      0.00000
      9      27.3648      0.00000
     10      32.0501      0.00000
     11      33.2763      0.00000
     12      36.5734      0.00000
     13      39.7274      0.00000
     14      44.0090      0.00000
     15      46.6540      0.00000
     16      49.4718      0.00000

 k-point   222 :       0.3810    0.2857    0.0952
  band No.  band energies     occupation 
      1       1.8457      2.00000
      2       3.6178      2.00000
      3       4.4600      2.00000
      4       5.2104      2.00000
      5       5.2843      2.00000
      6       5.8978      2.00000
      7      20.7348      0.00000
      8      21.2843      0.00000
      9      24.0321      0.00000
     10      28.9707      0.00000
     11      31.1240      0.00000
     12      40.0987      0.00000
     13      43.7030      0.00000
     14      47.1780      0.00000
     15      47.5811      0.00000
     16      50.3329      0.00000

 k-point   223 :       0.4286    0.2857    0.0952
  band No.  band energies     occupation 
      1       2.3562      2.00000
      2       3.5835      2.00000
      3       4.3625      2.00000
      4       5.2001      2.00000
      5       5.4454      2.00000
      6       6.3475      2.00000
      7      18.7886      0.00000
      8      20.8502      0.00000
      9      22.8480      0.00000
     10      29.3797      0.00000
     11      32.2383      0.00000
     12      39.2436      0.00000
     13      44.1398      0.00000
     14      47.3972      0.00000
     15      48.9672      0.00000
     16      51.8203      0.00000

 k-point   224 :       0.4762    0.2857    0.0952
  band No.  band energies     occupation 
      1       2.7741      2.00000
      2       3.5957      2.00000
      3       4.2777      2.00000
      4       5.1402      2.00000
      5       5.6000      2.00000
      6       7.0261      2.00000
      7      16.7340      0.00000
      8      20.7786      0.00000
      9      21.7925      0.00000
     10      29.4635      0.00000
     11      33.9015      0.00000
     12      38.5346      0.00000
     13      44.1397      0.00000
     14      47.3712      0.00000
     15      50.4812      0.00000
     16      52.2593      0.00000

 k-point   225 :      -0.4762    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.0488      2.00000
      2       3.6416      2.00000
      3       4.2358      2.00000
      4       5.0741      2.00000
      5       5.6932      2.00000
      6       7.9552      0.00000
      7      14.8040      0.00000
      8      20.7136      0.00000
      9      21.0473      0.00000
     10      29.5352      0.00000
     11      35.5707      0.00000
     12      38.1948      0.00000
     13      43.9181      0.00000
     14      47.3431      0.00000
     15      49.6958      0.00000
     16      52.2341      0.00000

 k-point   226 :      -0.4286    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.2060      2.00000
      2       3.6725      2.00000
      3       4.2474      2.00000
      4       5.0107      2.00000
      5       5.7256      2.00000
      6       9.0880      0.00000
      7      13.0636      0.00000
      8      20.0125      0.00000
      9      21.2532      0.00000
     10      29.6871      0.00000
     11      36.2783      0.00000
     12      39.0857      0.00000
     13      43.6080      0.00000
     14      46.9937      0.00000
     15      47.5911      0.00000
     16      53.4963      0.00000

 k-point   227 :      -0.3810    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.2951      2.00000
      2       3.6848      2.00000
      3       4.2561      2.00000
      4       4.9640      2.00000
      5       5.7035      2.00000
      6      10.1067      0.00000
      7      11.8243      0.00000
      8      19.3725      0.00000
      9      21.7137      0.00000
     10      29.9542      0.00000
     11      36.0670      0.00000
     12      41.0729      0.00000
     13      43.2575      0.00000
     14      44.7458      0.00000
     15      47.6667      0.00000
     16      52.3309      0.00000

 k-point   228 :      -0.3333    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.3191      2.00000
      2       3.7281      2.00000
      3       4.1885      2.00000
      4       4.9518      2.00000
      5       5.6339      2.00000
      6       9.5495      0.00000
      7      12.5441      0.00000
      8      18.8827      0.00000
      9      22.3385      0.00000
     10      30.3558      0.00000
     11      35.6873      0.00000
     12      42.0951      0.00000
     13      42.7503      0.00000
     14      44.0148      0.00000
     15      47.8868      0.00000
     16      50.5098      0.00000

 k-point   229 :      -0.2857    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.2524      2.00000
      2       3.8178      2.00000
      3       4.0431      2.00000
      4       4.9741      2.00000
      5       5.5224      2.00000
      6       8.4477      0.00000
      7      14.1940      0.00000
      8      18.5594      0.00000
      9      23.1109      0.00000
     10      30.9011      0.00000
     11      35.2396      0.00000
     12      40.2108      0.00000
     13      42.4866      0.00000
     14      46.2521      0.00000
     15      47.7532      0.00000
     16      49.3051      0.00000

 k-point   230 :      -0.2381    0.2857    0.0952
  band No.  band energies     occupation 
      1       3.0344      2.00000
      2       3.8405      2.00000
      3       3.9983      2.00000
      4       5.0124      2.00000
      5       5.3783      2.00000
      6       7.5144      0.00787
      7      16.0434      0.00000
      8      18.4307      0.00000
      9      24.0181      0.00000
     10      31.5853      0.00000
     11      34.6276      0.00000
     12      38.5755      0.00000
     13      41.9865      0.00000
     14      46.4727      0.00000
     15      49.0394      0.00000
     16      49.3853      0.00000

 k-point   231 :      -0.1905    0.2857    0.0952
  band No.  band energies     occupation 
      1       2.6155      2.00000
      2       3.7946      2.00000
      3       4.1260      2.00000
      4       5.0361      2.00000
      5       5.2350      2.00000
      6       6.8049      2.00000
      7      17.7576      0.00000
      8      18.7529      0.00000
      9      25.0494      0.00000
     10      32.3375      0.00000
     11      33.7443      0.00000
     12      37.4763      0.00000
     13      41.2512      0.00000
     14      45.4701      0.00000
     15      49.1837      0.00000
     16      50.7505      0.00000

 k-point   232 :       0.4286    0.3333    0.0952
  band No.  band energies     occupation 
      1       2.4607      2.00000
      2       3.4546      2.00000
      3       4.5838      2.00000
      4       5.4331      2.00000
      5       5.4576      2.00000
      6       6.3969      2.00000
      7      19.8070      0.00000
      8      20.3381      0.00000
      9      21.2993      0.00000
     10      28.3485      0.00000
     11      30.5436      0.00000
     12      41.3866      0.00000
     13      46.4122      0.00000
     14      48.8770      0.00000
     15      49.6782      0.00000
     16      52.2752      0.00000

 k-point   233 :       0.4762    0.3333    0.0952
  band No.  band energies     occupation 
      1       2.7738      2.00000
      2       3.4426      2.00000
      3       4.5114      2.00000
      4       5.3730      2.00000
      5       5.6098      2.00000
      6       7.1380      2.00000
      7      17.9763      0.00000
      8      19.9487      0.00000
      9      20.2652      0.00000
     10      28.8435      0.00000
     11      31.7782      0.00000
     12      40.4991      0.00000
     13      46.7171      0.00000
     14      49.3313      0.00000
     15      51.2493      0.00000
     16      52.7853      0.00000

 k-point   234 :      -0.4762    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.0087      2.00000
      2       3.4697      2.00000
      3       4.4335      2.00000
      4       5.2899      2.00000
      5       5.7134      2.00000
      6       8.1208      0.00000
      7      16.0326      0.00000
      8      19.1636      0.00000
      9      20.1399      0.00000
     10      29.0387      0.00000
     11      33.5898      0.00000
     12      39.7141      0.00000
     13      46.3997      0.00000
     14      49.6635      0.00000
     15      50.0939      0.00000
     16      53.3432      0.00000

 k-point   235 :      -0.4286    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.1823      2.00000
      2       3.5155      2.00000
      3       4.3608      2.00000
      4       5.2055      2.00000
      5       5.7523      2.00000
      6       9.3103      0.00000
      7      14.2122      0.00000
      8      18.3439      0.00000
      9      20.3837      0.00000
     10      29.2277      0.00000
     11      35.6040      0.00000
     12      39.0813      0.00000
     13      45.9136      0.00000
     14      47.5537      0.00000
     15      49.9799      0.00000
     16      54.5053      0.00000

 k-point   236 :      -0.3810    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.3294      2.00000
      2       3.5500      2.00000
      3       4.2841      2.00000
      4       5.1315      2.00000
      5       5.7337      2.00000
      6      10.6152      0.00000
      7      12.6104      0.00000
      8      17.6666      0.00000
      9      20.8119      0.00000
     10      29.4989      0.00000
     11      37.2848      0.00000
     12      39.0026      0.00000
     13      45.1666      0.00000
     14      45.3860      0.00000
     15      50.2656      0.00000
     16      52.8468      0.00000

 k-point   237 :      -0.3333    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.4637      2.00000
      2       3.5688      2.00000
      3       4.1760      2.00000
      4       5.0836      2.00000
      5       5.6675      2.00000
      6      10.7479      0.00000
      7      12.5053      0.00000
      8      17.1548      0.00000
      9      21.4045      0.00000
     10      29.8824      0.00000
     11      37.2992      0.00000
     12      40.5802      0.00000
     13      43.1547      0.00000
     14      44.8187      0.00000
     15      50.0990      0.00000
     16      51.4959      0.00000

 k-point   238 :      -0.2857    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.4844      2.00000
      2       3.6679      2.00000
      3       4.0241      2.00000
      4       5.0664      2.00000
      5       5.5663      2.00000
      6       9.5263      0.00000
      7      14.0422      0.00000
      8      16.8575      0.00000
      9      22.1455      0.00000
     10      30.3871      0.00000
     11      36.6759      0.00000
     12      40.6474      0.00000
     13      43.6077      0.00000
     14      44.1733      0.00000
     15      48.7564      0.00000
     16      51.6445      0.00000

 k-point   239 :      -0.2381    0.3333    0.0952
  band No.  band energies     occupation 
      1       3.3467      2.00000
      2       3.8281      2.00000
      3       3.8878      2.00000
      4       5.0587      2.00000
      5       5.4537      2.00000
      6       8.4206      0.00000
      7      15.4906      0.00000
      8      17.0434      0.00000
      9      23.0206      0.00000
     10      30.9944      0.00000
     11      35.7474      0.00000
     12      39.4048      0.00000
     13      43.1818      0.00000
     14      46.0428      0.00000
     15      47.6229      0.00000
     16      51.9242      0.00000

 k-point   240 :       0.4762    0.3810    0.0952
  band No.  band energies     occupation 
      1       2.7320      2.00000
      2       3.3186      2.00000
      3       4.8568      2.00000
      4       5.5624      2.00000
      5       5.6373      2.00000
      6       7.3051      1.99890
      7      18.6621      0.00000
      8      19.0647      0.00000
      9      19.6828      0.00000
     10      27.8903      0.00000
     11      30.1503      0.00000
     12      42.7178      0.00000
     13      49.0650      0.00000
     14      50.0194      0.00000
     15      52.1752      0.00000
     16      53.3266      0.00000

 k-point   241 :      -0.4762    0.3810    0.0952
  band No.  band energies     occupation 
      1       2.8967      2.00000
      2       3.3321      2.00000
      3       4.7607      2.00000
      4       5.4815      2.00000
      5       5.7425      2.00000
      6       8.3057      0.00000
      7      17.3504      0.00000
      8      17.7105      0.00000
      9      19.4648      0.00000
     10      28.4700      0.00000
     11      31.4685      0.00000
     12      41.8073      0.00000
     13      48.8497      0.00000
     14      50.5170      0.00000
     15      51.6858      0.00000
     16      53.6290      0.00000

 k-point   242 :      -0.4286    0.3810    0.0952
  band No.  band energies     occupation 
      1       3.0455      2.00000
      2       3.3818      2.00000
      3       4.6369      2.00000
      4       5.3809      2.00000
      5       5.7925      2.00000
      6       9.4922      0.00000
      7      15.5342      0.00000
      8      16.8703      0.00000
      9      19.6528      0.00000
     10      28.7635      0.00000
     11      33.3777      0.00000
     12      40.9564      0.00000
     13      47.9170      0.00000
     14      48.4252      0.00000
     15      52.4487      0.00000
     16      54.9925      0.00000

 k-point   243 :      -0.3810    0.3810    0.0952
  band No.  band energies     occupation 
      1       3.1910      2.00000
      2       3.4516      2.00000
      3       4.4892      2.00000
      4       5.2838      2.00000
      5       5.7832      2.00000
      6      10.8162      0.00000
      7      13.8211      0.00000
      8      16.2131      0.00000
      9      20.0376      0.00000
     10      29.0466      0.00000
     11      35.5546      0.00000
     12      40.1312      0.00000
     13      45.7821      0.00000
     14      47.5059      0.00000
     15      52.6001      0.00000
     16      53.8569      0.00000

 k-point   244 :      -0.3333    0.3810    0.0952
  band No.  band energies     occupation 
      1       3.3434      2.00000
      2       3.5199      2.00000
      3       4.3176      2.00000
      4       5.2010      2.00000
      5       5.7277      2.00000
      6      11.9901      0.00000
      7      12.4657      0.00000
      8      15.7947      0.00000
      9      20.5937      0.00000
     10      29.4036      0.00000
     11      37.8478      0.00000
     12      39.2580      0.00000
     13      43.8178      0.00000
     14      46.6347      0.00000
     15      51.2198      0.00000
     16      53.9221      0.00000

 k-point   245 :      -0.2857    0.3810    0.0952
  band No.  band energies     occupation 
      1       3.5049      2.00000
      2       3.5551      2.00000
      3       4.1383      2.00000
      4       5.1338      2.00000
      5       5.6457      2.00000
      6      10.7732      0.00000
      7      13.4825      0.00000
      8      15.8519      0.00000
      9      21.3020      0.00000
     10      29.8557      0.00000
     11      38.0637      0.00000
     12      40.1159      0.00000
     13      42.5839      0.00000
     14      45.5234      0.00000
     15      49.7797      0.00000
     16      54.1964      0.00000

 k-point   246 :      -0.4762    0.4286    0.0952
  band No.  band energies     occupation 
      1       2.7900      2.00000
      2       3.2214      2.00000
      3       5.1156      2.00000
      4       5.6007      2.00000
      5       5.7955      2.00000
      6       8.5469      0.00000
      7      16.4168      0.00000
      8      18.5426      0.00000
      9      19.1585      0.00000
     10      27.5904      0.00000
     11      29.9104      0.00000
     12      44.0269      0.00000
     13      50.5393      0.00000
     14      51.6019      0.00000
     15      51.8324      0.00000
     16      55.0859      0.00000

 k-point   247 :      -0.4286    0.4286    0.0952
  band No.  band energies     occupation 
      1       2.9013      2.00000
      2       3.2624      2.00000
      3       4.9661      2.00000
      4       5.5125      2.00000
      5       5.8431      2.00000
      6       9.6327      0.00000
      7      15.6386      0.00000
      8      16.9920      0.00000
      9      19.0858      0.00000
     10      28.2499      0.00000
     11      31.2924      0.00000
     12      43.0318      0.00000
     13      48.7951      0.00000
     14      50.5143      0.00000
     15      53.6363      0.00000
     16      56.0174      0.00000

 k-point   248 :      -0.3810    0.4286    0.0952
  band No.  band energies     occupation 
      1       3.0314      2.00000
      2       3.3388      2.00000
      3       4.7697      2.00000
      4       5.4095      2.00000
      5       5.8402      2.00000
      6      10.7728      0.00000
      7      15.0213      0.00000
      8      15.3952      0.00000
      9      19.4093      0.00000
     10      28.6285      0.00000
     11      33.2722      0.00000
     12      41.9660      0.00000
     13      46.7023      0.00000
     14      49.4926      0.00000
     15      53.8031      0.00000
     16      56.0604      0.00000

 k-point   249 :      -0.3333    0.4286    0.0952
  band No.  band energies     occupation 
      1       3.1803      2.00000
      2       3.4349      2.00000
      3       4.5420      2.00000
      4       5.3069      2.00000
      5       5.7942      2.00000
      6      11.7577      0.00000
      7      13.6321      0.00000
      8      15.1217      0.00000
      9      19.9218      0.00000
     10      28.9869      0.00000
     11      35.5297      0.00000
     12      40.7013      0.00000
     13      44.9876      0.00000
     14      48.2387      0.00000
     15      52.3816      0.00000
     16      56.2128      0.00000

 k-point   250 :      -0.4286    0.4762    0.0952
  band No.  band energies     occupation 
      1       2.7880      2.00000
      2       3.1708      2.00000
      3       5.2722      2.00000
      4       5.5955      2.00000
      5       5.8825      2.00000
      6       9.6788      0.00000
      7      14.8062      0.00000
      8      18.2720      0.00000
      9      18.8965      0.00000
     10      27.4424      0.00000
     11      29.7976      0.00000
     12      45.0298      0.00000
     13      49.8760      0.00000
     14      51.6949      0.00000
     15      54.0734      0.00000
     16      56.5508      0.00000

 k-point   251 :      -0.3810    0.4762    0.0952
  band No.  band energies     occupation 
      1       2.8935      2.00000
      2       3.2386      2.00000
      3       5.0468      2.00000
      4       5.5107      2.00000
      5       5.8814      2.00000
      6      10.3852      0.00000
      7      14.6540      0.00000
      8      16.8600      0.00000
      9      18.9582      0.00000
     10      28.1773      0.00000
     11      31.2356      0.00000
     12      43.6446      0.00000
     13      48.0667      0.00000
     14      51.0487      0.00000
     15      54.9345      0.00000
     16      56.0449      0.00000

 k-point   252 :       0.4286    0.2857    0.1429
  band No.  band energies     occupation 
      1       2.2009      2.00000
      2       3.6953      2.00000
      3       4.2673      2.00000
      4       5.1713      2.00000
      5       5.2157      2.00000
      6       6.3076      2.00000
      7      19.1920      0.00000
      8      19.9507      0.00000
      9      24.4592      0.00000
     10      31.2591      0.00000
     11      32.8996      0.00000
     12      37.4392      0.00000
     13      42.4354      0.00000
     14      46.3696      0.00000
     15      48.2699      0.00000
     16      50.5038      0.00000

 k-point   253 :       0.4762    0.2857    0.1429
  band No.  band energies     occupation 
      1       2.7009      2.00000
      2       3.6982      2.00000
      3       4.1495      2.00000
      4       5.1184      2.00000
      5       5.3895      2.00000
      6       6.8768      2.00000
      7      17.3499      0.00000
      8      19.5716      0.00000
      9      23.3502      0.00000
     10      31.6072      0.00000
     11      33.7056      0.00000
     12      37.2321      0.00000
     13      43.0391      0.00000
     14      47.1592      0.00000
     15      48.8603      0.00000
     16      51.6862      0.00000

 k-point   254 :      -0.4762    0.2857    0.1429
  band No.  band energies     occupation 
      1       3.0488      2.00000
      2       3.7480      2.00000
      3       4.0755      2.00000
      4       5.0521      2.00000
      5       5.5419      2.00000
      6       7.6703      0.00000
      7      15.3855      0.00000
      8      19.6095      0.00000
      9      22.3670      0.00000
     10      31.5160      0.00000
     11      34.4295      0.00000
     12      37.9062      0.00000
     13      43.3479      0.00000
     14      47.4902      0.00000
     15      49.2118      0.00000
     16      49.7891      0.00000

 k-point   255 :      -0.4286    0.2857    0.1429
  band No.  band energies     occupation 
      1       3.2279      2.00000
      2       3.7507      2.00000
      3       4.1246      2.00000
      4       4.9905      2.00000
      5       5.6444      2.00000
      6       8.6930      0.00000
      7      13.5719      0.00000
      8      19.8321      0.00000
      9      21.5202      0.00000
     10      31.3892      0.00000
     11      34.6042      0.00000
     12      39.5197      0.00000
     13      43.4928      0.00000
     14      46.6522      0.00000
     15      47.3619      0.00000
     16      51.3070      0.00000

 k-point   256 :      -0.3810    0.2857    0.1429
  band No.  band energies     occupation 
      1       3.3035      2.00000
      2       3.7100      2.00000
      3       4.2129      2.00000
      4       4.9487      2.00000
      5       5.6944      2.00000
      6       9.7951      0.00000
      7      12.0774      0.00000
      8      20.2080      0.00000
      9      20.8323      0.00000
     10      31.3135      0.00000
     11      34.6000      0.00000
     12      41.5379      0.00000
     13      43.5485      0.00000
     14      44.2310      0.00000
     15      47.2363      0.00000
     16      52.9362      0.00000

 k-point   257 :       0.4762    0.3333    0.1429
  band No.  band energies     occupation 
      1       2.7590      2.00000
      2       3.5618      2.00000
      3       4.2665      2.00000
      4       5.3243      2.00000
      5       5.4328      2.00000
      6       6.9728      2.00000
      7      18.2724      0.00000
      8      19.1056      0.00000
      9      21.6914      0.00000
     10      30.6089      0.00000
     11      32.5509      0.00000
     12      38.4683      0.00000
     13      45.3134      0.00000
     14      48.6317      0.00000
     15      50.1121      0.00000
     16      51.7254      0.00000

 k-point   258 :      -0.4762    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.0635      2.00000
      2       3.5853      2.00000
      3       4.1768      2.00000
      4       5.2592      2.00000
      5       5.5714      2.00000
      6       7.8189      0.00000
      7      16.5480      0.00000
      8      18.8249      0.00000
      9      20.6662      0.00000
     10      31.1222      0.00000
     11      33.7289      0.00000
     12      37.9146      0.00000
     13      45.9244      0.00000
     14      49.0227      0.00000
     15      49.8351      0.00000
     16      51.2054      0.00000

 k-point   259 :      -0.4286    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.2588      2.00000
      2       3.6232      2.00000
      3       4.1287      2.00000
      4       5.1741      2.00000
      5       5.6753      2.00000
      6       8.8894      0.00000
      7      14.6936      0.00000
      8      18.9707      0.00000
      9      19.7830      0.00000
     10      31.2949      0.00000
     11      35.0408      0.00000
     12      37.9202      0.00000
     13      46.0644      0.00000
     14      47.0042      0.00000
     15      49.3900      0.00000
     16      52.6174      0.00000

 k-point   260 :      -0.3810    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.3947      2.00000
      2       3.6113      2.00000
      3       4.1305      2.00000
      4       5.1009      2.00000
      5       5.7231      2.00000
      6      10.1308      0.00000
      7      13.0040      0.00000
      8      18.9810      0.00000
      9      19.3693      0.00000
     10      31.4683      0.00000
     11      35.4720      0.00000
     12      39.1083      0.00000
     13      44.4945      0.00000
     14      46.0617      0.00000
     15      49.4271      0.00000
     16      54.1096      0.00000

 k-point   261 :      -0.3333    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.5118      2.00000
      2       3.5596      2.00000
      3       4.1138      2.00000
      4       5.0651      2.00000
      5       5.7167      2.00000
      6      10.8814      0.00000
      7      12.1520      0.00000
      8      18.4077      0.00000
      9      19.8579      0.00000
     10      31.7256      0.00000
     11      35.2867      0.00000
     12      40.7050      0.00000
     13      42.6633      0.00000
     14      45.8358      0.00000
     15      49.5639      0.00000
     16      53.4582      0.00000

 k-point   262 :      -0.2857    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.4617      2.00000
      2       3.6551      2.00000
      3       4.0246      2.00000
      4       5.0806      2.00000
      5       5.6598      2.00000
      6       9.7683      0.00000
      7      13.5066      0.00000
      8      17.9770      0.00000
      9      20.5234      0.00000
     10      32.0894      0.00000
     11      34.8908      0.00000
     12      39.7147      0.00000
     13      43.9861      0.00000
     14      45.5208      0.00000
     15      49.6925      0.00000
     16      51.8593      0.00000

 k-point   263 :      -0.2381    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.3355      2.00000
      2       3.7455      2.00000
      3       3.9313      2.00000
      4       5.1301      2.00000
      5       5.5585      2.00000
      6       8.6016      0.00000
      7      15.2346      0.00000
      8      17.7457      0.00000
      9      21.3338      0.00000
     10      32.5590      0.00000
     11      34.2204      0.00000
     12      38.2328      0.00000
     13      44.9721      0.00000
     14      46.4899      0.00000
     15      49.2485      0.00000
     16      51.1091      0.00000

 k-point   264 :      -0.1905    0.3333    0.1429
  band No.  band energies     occupation 
      1       3.0889      2.00000
      2       3.7085      2.00000
      3       4.0131      2.00000
      4       5.1726      2.00000
      5       5.4375      2.00000
      6       7.6323      0.00000
      7      16.8236      0.00000
      8      17.9817      0.00000
      9      22.2784      0.00000
     10      33.0824      0.00000
     11      33.1203      0.00000
     12      37.4059      0.00000
     13      44.1959      0.00000
     14      47.9744      0.00000
     15      49.3773      0.00000
     16      50.8910      0.00000

 k-point   265 :      -0.4762    0.3810    0.1429
  band No.  band energies     occupation 
      1       2.9862      2.00000
      2       3.4487      2.00000
      3       4.4367      2.00000
      4       5.4184      2.00000
      5       5.6354      2.00000
      6       8.0158      0.00000
      7      17.5405      0.00000
      8      18.4349      0.00000
      9      19.1270      0.00000
     10      30.1201      0.00000
     11      32.2848      0.00000
     12      39.6414      0.00000
     13      48.2837      0.00000
     14      49.6253      0.00000
     15      50.8644      0.00000
     16      52.2212      0.00000

 k-point   266 :      -0.4286    0.3810    0.1429
  band No.  band energies     occupation 
      1       3.1462      2.00000
      2       3.4953      2.00000
      3       4.3486      2.00000
      4       5.3343      2.00000
      5       5.7278      2.00000
      6       9.1028      0.00000
      7      15.9429      0.00000
      8      18.1093      0.00000
      9      18.3609      0.00000
     10      30.7568      0.00000
     11      33.6902      0.00000
     12      38.8959      0.00000
     13      47.3581      0.00000
     14      48.7584      0.00000
     15      51.1699      0.00000
     16      53.7878      0.00000

 k-point   267 :      -0.3810    0.3810    0.1429
  band No.  band energies     occupation 
      1       3.2735      2.00000
      2       3.5569      2.00000
      3       4.2573      2.00000
      4       5.2370      2.00000
      5       5.7776      2.00000
      6      10.3686      0.00000
      7      14.2035      0.00000
      8      17.4021      0.00000
      9      18.5701      0.00000
     10      31.0940      0.00000
     11      35.5151      0.00000
     12      38.3383      0.00000
     13      44.9595      0.00000
     14      48.4962      0.00000
     15      51.6556      0.00000
     16      55.4095      0.00000

 k-point   268 :      -0.3333    0.3810    0.1429
  band No.  band energies     occupation 
      1       3.3884      2.00000
      2       3.6087      2.00000
      3       4.1535      2.00000
      4       5.1636      2.00000
      5       5.7731      2.00000
      6      11.6938      0.00000
      7      12.6752      0.00000
      8      16.8033      0.00000
      9      19.0311      0.00000
     10      31.4365      0.00000
     11      36.6477      0.00000
     12      38.6159      0.00000
     13      42.8697      0.00000
     14      48.0061      0.00000
     15      51.9376      0.00000
     16      54.1859      0.00000

 k-point   269 :      -0.2857    0.3810    0.1429
  band No.  band energies     occupation 
      1       3.4755      2.00000
      2       3.6675      2.00000
      3       4.0170      2.00000
      4       5.1339      2.00000
      5       5.7207      2.00000
      6      11.0022      0.00000
      7      13.4071      0.00000
      8      16.4221      0.00000
      9      19.6568      0.00000
     10      31.8584      0.00000
     11      36.2241      0.00000
     12      39.5511      0.00000
     13      42.0916      0.00000
     14      47.3306      0.00000
     15      51.4747      0.00000
     16      53.3638      0.00000

 k-point   270 :      -0.2381    0.3810    0.1429
  band No.  band energies     occupation 
      1       3.4779      2.00000
      2       3.7694      2.00000
      3       3.8636      2.00000
      4       5.1382      2.00000
      5       5.6365      2.00000
      6       9.7189      0.00000
      7      14.7208      0.00000
      8      16.5270      0.00000
      9      20.4282      0.00000
     10      32.3415      0.00000
     11      35.2285      0.00000
     12      38.8690      0.00000
     13      43.9338      0.00000
     14      46.3499      0.00000
     15      50.3045      0.00000
     16      53.6145      0.00000

 k-point   271 :      -0.4286    0.4286    0.1429
  band No.  band energies     occupation 
      1       3.0107      2.00000
      2       3.3669      2.00000
      3       4.6589      2.00000
      4       5.4457      2.00000
      5       5.7944      2.00000
      6       9.3521      0.00000
      7      16.7725      0.00000
      8      17.0270      0.00000
      9      18.0343      0.00000
     10      29.7955      0.00000
     11      32.1124      0.00000
     12      40.8778      0.00000
     13      47.9814      0.00000
     14      51.2426      0.00000
     15      51.5565      0.00000
     16      54.6490      0.00000

 k-point   272 :      -0.3810    0.4286    0.1429
  band No.  band energies     occupation 
      1       3.1230      2.00000
      2       3.4402      2.00000
      3       4.5216      2.00000
      4       5.3474      2.00000
      5       5.8403      2.00000
      6      10.5466      0.00000
      7      15.5444      0.00000
      8      16.0634      0.00000
      9      17.9634      0.00000
     10      30.5340      0.00000
     11      33.6458      0.00000
     12      39.9588      0.00000
     13      45.6381      0.00000
     14      50.8099      0.00000
     15      53.2607      0.00000
     16      55.9919      0.00000

 k-point   273 :      -0.3333    0.4286    0.1429
  band No.  band energies     occupation 
      1       3.2396      2.00000
      2       3.5345      2.00000
      3       4.3543      2.00000
      4       5.2521      2.00000
      5       5.8382      2.00000
      6      11.8066      0.00000
      7      13.9179      0.00000
      8      15.5743      0.00000
      9      18.3494      0.00000
     10      30.9832      0.00000
     11      35.7071      0.00000
     12      38.9539      0.00000
     13      43.6139      0.00000
     14      50.0027      0.00000
     15      53.7833      0.00000
     16      55.5485      0.00000

 k-point   274 :      -0.2857    0.4286    0.1429
  band No.  band energies     occupation 
      1       3.3613      2.00000
      2       3.6272      2.00000
      3       4.1673      2.00000
      4       5.1819      2.00000
      5       5.7918      2.00000
      6      12.3861      0.00000
      7      12.9031      0.00000
      8      15.5591      0.00000
      9      18.9267      0.00000
     10      31.4150      0.00000
     11      37.7077      0.00000
     12      37.9077      0.00000
     13      42.2097      0.00000
     14      48.8742      0.00000
     15      52.6936      0.00000
     16      55.3681      0.00000

 k-point   275 :      -0.3810    0.4762    0.1429
  band No.  band energies     occupation 
      1       2.9924      2.00000
      2       3.3242      2.00000
      3       4.8049      2.00000
      4       5.4363      2.00000
      5       5.8826      2.00000
      6      10.5986      0.00000
      7      15.0660      0.00000
      8      16.7609      0.00000
      9      17.8003      0.00000
     10      29.6340      0.00000
     11      32.0288      0.00000
     12      41.8824      0.00000
     13      46.6299      0.00000
     14      52.0594      0.00000
     15      54.0698      0.00000
     16      56.8189      0.00000

 k-point   276 :      -0.3333    0.4762    0.1429
  band No.  band energies     occupation 
      1       3.1060      2.00000
      2       3.4217      2.00000
      3       4.5920      2.00000
      4       5.3421      2.00000
      5       5.8817      2.00000
      6      11.4199      0.00000
      7      14.9136      0.00000
      8      15.4694      0.00000
      9      17.8496      0.00000
     10      30.4594      0.00000
     11      33.6281      0.00000
     12      40.5248      0.00000
     13      44.8474      0.00000
     14      51.5323      0.00000
     15      55.1063      0.00000
     16      56.0666      0.00000

 k-point   277 :      -0.4286    0.3810    0.1905
  band No.  band energies     occupation 
      1       3.2643      2.00000
      2       3.6311      2.00000
      3       4.0733      2.00000
      4       5.2563      2.00000
      5       5.6344      2.00000
      6       8.8118      0.00000
      7      16.0801      0.00000
      8      17.3967      0.00000
      9      19.6833      0.00000
     10      32.5762      0.00000
     11      33.8035      0.00000
     12      37.6091      0.00000
     13      46.8495      0.00000
     14      47.3022      0.00000
     15      50.5948      0.00000
     16      52.8018      0.00000

 k-point   278 :      -0.3810    0.3810    0.1905
  band No.  band energies     occupation 
      1       3.3753      2.00000
      2       3.6945      2.00000
      3       4.0082      2.00000
      4       5.1913      2.00000
      5       5.7213      2.00000
      6       9.9968      0.00000
      7      14.6208      0.00000
      8      17.2518      0.00000
      9      18.8400      0.00000
     10      33.0587      0.00000
     11      34.5358      0.00000
     12      37.9194      0.00000
     13      44.3563      0.00000
     14      48.1028      0.00000
     15      51.2862      0.00000
     16      53.5425      0.00000

 k-point   279 :      -0.3333    0.3810    0.1905
  band No.  band energies     occupation 
      1       3.4323      2.00000
      2       3.7023      2.00000
      3       4.0070      2.00000
      4       5.1405      2.00000
      5       5.7716      2.00000
      6      11.3201      0.00000
      7      13.0316      0.00000
      8      17.5763      0.00000
      9      18.1503      0.00000
     10      33.0908      0.00000
     11      35.0194      0.00000
     12      38.9794      0.00000
     13      42.2848      0.00000
     14      48.4287      0.00000
     15      51.4690      0.00000
     16      54.8086      0.00000

 k-point   280 :      -0.3810    0.4286    0.1905
  band No.  band energies     occupation 
      1       3.2420      2.00000
      2       3.5733      2.00000
      3       4.2437      2.00000
      4       5.2776      2.00000
      5       5.7931      2.00000
      6      10.2605      0.00000
      7      15.5574      0.00000
      8      16.9628      0.00000
      9      17.3695      0.00000
     10      32.2374      0.00000
     11      34.2443      0.00000
     12      38.1872      0.00000
     13      44.8858      0.00000
     14      50.5084      0.00000
     15      52.0537      0.00000
     16      54.9037      0.00000

 k-point   281 :      -0.3333    0.4286    0.1905
  band No.  band energies     occupation 
      1       3.3108      2.00000
      2       3.6757      2.00000
      3       4.1280      2.00000
      4       5.2027      2.00000
      5       5.8388      2.00000
      6      11.5627      0.00000
      7      14.2283      0.00000
      8      16.5896      0.00000
      9      17.0053      0.00000
     10      33.0162      0.00000
     11      35.4748      0.00000
     12      37.6692      0.00000
     13      42.7144      0.00000
     14      50.9759      0.00000
     15      52.9185      0.00000
     16      56.2681      0.00000

 k-point   282 :      -0.2857    0.4286    0.1905
  band No.  band energies     occupation 
      1       3.3625      2.00000
      2       3.7801      2.00000
      3       3.9974      2.00000
      4       5.1609      2.00000
      5       5.8380      2.00000
      6      12.6143      0.00000
      7      13.0467      0.00000
      8      16.1545      0.00000
      9      17.4107      0.00000
     10      33.4626      0.00000
     11      35.8787      0.00000
     12      37.9454      0.00000
     13      41.4128      0.00000
     14      50.5987      0.00000
     15      53.2375      0.00000
     16      55.8150      0.00000

 k-point   283 :      -0.2381    0.4286    0.1905
  band No.  band energies     occupation 
      1       3.3910      2.00000
      2       3.8410      2.00000
      3       3.8933      2.00000
      4       5.1661      2.00000
      5       5.7920      2.00000
      6      11.2667      0.00000
      7      14.1760      0.00000
      8      16.1806      0.00000
      9      18.0456      0.00000
     10      33.8460      0.00000
     11      34.8797      0.00000
     12      38.1277      0.00000
     13      42.1806      0.00000
     14      49.6589      0.00000
     15      52.5644      0.00000
     16      55.2376      0.00000

 k-point   284 :      -0.3333    0.4762    0.1905
  band No.  band energies     occupation 
      1       3.2004      2.00000
      2       3.5425      2.00000
      3       4.3653      2.00000
      4       5.2681      2.00000
      5       5.8825      2.00000
      6      11.6603      0.00000
      7      15.2861      0.00000
      8      15.4616      0.00000
      9      16.8331      0.00000
     10      32.0679      0.00000
     11      34.4309      0.00000
     12      38.8599      0.00000
     13      43.5410      0.00000
     14      52.7322      0.00000
     15      53.7038      0.00000
     16      56.4156      0.00000

 k-point   285 :      -0.2857    0.4762    0.1905
  band No.  band energies     occupation 
      1       3.2808      2.00000
      2       3.6684      2.00000
      3       4.1794      2.00000
      4       5.1996      2.00000
      5       5.8821      2.00000
      6      12.5973      0.00000
      7      14.0736      0.00000
      8      15.3929      0.00000
      9      16.8802      0.00000
     10      32.9688      0.00000
     11      36.0031      0.00000
     12      37.5295      0.00000
     13      42.0383      0.00000
     14      52.2155      0.00000
     15      54.5378      0.00000
     16      56.0958      0.00000

 k-point   286 :      -0.2857    0.4762    0.2381
  band No.  band energies     occupation 
      1       3.3219      2.00000
      2       3.8277      2.00000
      3       3.9829      2.00000
      4       5.1664      2.00000
      5       5.8824      2.00000
      6      12.8259      0.00000
      7      13.8916      0.00000
      8      15.8548      0.00000
      9      16.2305      0.00000
     10      34.7049      0.00000
     11      35.4298      0.00000
     12      36.9783      0.00000
     13      41.2414      0.00000
     14      52.9978      0.00000
     15      53.5999      0.00000
     16      56.1715      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
 -3.031  -0.000  -0.000  -0.000  -0.000  -4.620   0.000   0.000
 -0.000  -3.031   0.000  -0.000  -0.000   0.000  -4.620  -0.000
 -0.000   0.000  -3.019   0.000  -0.000   0.000  -0.000  -4.628
 -0.000  -0.000   0.000  -3.031   0.000   0.000   0.000  -0.000
 -0.000  -0.000  -0.000   0.000  -3.019   0.000   0.000   0.000
 -4.620   0.000   0.000   0.000   0.000  10.218   0.000  -0.000
  0.000  -4.620  -0.000   0.000   0.000   0.000  10.218   0.000
  0.000  -0.000  -4.628  -0.000   0.000  -0.000   0.000  10.223
  0.000   0.000  -0.000  -4.620  -0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.000  -4.628  -0.000  -0.000  -0.000
 -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000
 total augmentation occupancy for first ion, spin component:            1
  1.906   0.000   0.000   0.000   0.000  -0.016  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000   1.906   0.000  -0.000  -0.000  -0.000  -0.016   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000   1.926   0.000   0.000   0.000   0.000  -0.035  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   1.906  -0.000   0.000   0.000  -0.000  -0.016  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   1.926  -0.000   0.000   0.000   0.000  -0.035   0.000   0.000   0.000   0.000   0.000   0.000
 -0.016   0.000   0.000  -0.000  -0.000   0.017   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000  -0.016  -0.000   0.000  -0.000  -0.000   0.017   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.035  -0.000   0.000   0.000   0.000   0.016  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.000  -0.016   0.000  -0.000   0.000  -0.000   0.017   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000  -0.035  -0.000  -0.000   0.000   0.000   0.016   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   1.769  -0.170   0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.170   0.022   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.232  -0.000   0.000  -0.015
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.232   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.232   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.015   0.000   0.000   0.001
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.015  -0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.015   0.000


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





 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.442   0.371   9.171   9.984
 
    CHARGE:  cpu time      0.4006: real time      0.4009
    FORLOC:  cpu time      0.0036: real time      0.0036
    FORNL :  cpu time      1.7165: real time      1.7173
    STRESS:  cpu time      2.3534: real time      2.3545
    FORCOR:  cpu time      0.0038: real time      0.0038
    FORHAR:  cpu time      0.0010: real time      0.0010
    MIXING:  cpu time      0.0018: real time      0.0018
    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    60.90472    60.90472    60.90472
  Ewald    -366.27679  -366.27679  -366.27679    -0.00000     0.00000    -0.00000
  Hartree   113.97324   113.97324   113.97324     0.00000     0.00000     0.00000
  E(xc)     -64.30564   -64.30564   -64.30564    -0.00000    -0.00000    -0.00000
  Local      92.38589    92.38589    92.38589     0.00005     0.00005     0.00005
  n-local   -21.18407   -20.15175   -22.32040     1.71058    -1.53596     1.03461
  augment    94.84827    94.84827    94.84827    -0.00003    -0.00003    -0.00003
  Kinetic    88.69871    88.12452    92.23454    -1.91794     2.70521    -2.23896
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.00313    -0.00313    -0.00313    -0.00000    -0.00000     0.00000
  in kB      -0.41717    -0.41717    -0.41717    -0.00000    -0.00000     0.00000
  external pressure =       -0.42 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      550.00
  volume of cell :       12.01
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.817511172  1.817511172    -0.275101473  0.275101473  0.275101473
     1.817511172  0.000000000  1.817511172     0.275101473 -0.275101473  0.275101473
     1.817511172  1.817511172  0.000000000     0.275101473  0.275101473 -0.275101473

  length of vectors
     2.570348949  2.570348949  2.570348949     0.476489728  0.476489728  0.476489728


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.156E-13 -.452E-13 0.399E-15   0.180E-14 -.239E-14 0.784E-15   0.000E+00 0.165E-23 -.993E-23   0.171E-14 -.168E-13 -.350E-13
 -----------------------------------------------------------------------------------------------
   -.156E-13 -.452E-13 0.399E-15   0.180E-14 -.239E-14 0.784E-15   0.000E+00 0.165E-23 -.993E-23   0.171E-14 -.168E-13 -.350E-13
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         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  =        -3.72625125 eV

  energy  without entropy=       -3.72556959  energy(sigma->0) =       -3.72591042
 


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


    POTLOK:  cpu time      0.0960: real time      0.0960


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


     LOOP+:  cpu time     70.9969: real time     71.0327
    4ORBIT:  cpu time      0.0000: real time      0.0000



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.442   0.371   9.171   9.984
 

 total amount of memory used by VASP MPI-rank0    78420. kBytes
=======================================================================

   base                                    :      30000. kBytes
   nonl-proj                               :      14873. kBytes
   fftplans                                :       2284. kBytes
   grid                                    :       3500. kBytes
   one-center                              :         15. kBytes
   wavefun                                 :      27748. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       73.246
                            User time (sec):       72.115
                          System time (sec):        1.131
                         Elapsed time (sec):       73.422
  
                   Maximum memory used (kb):     1545540.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       353645
                          Major page faults:            0
                 Voluntary context switches:         3908
