 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jun 16 2026 17:25:11) complex           
 executed on         ExampleCPU date 2026.10.22  13:14:10
 running on    8 total cores
 distrk:  each k-point on    8 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    8 groups


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


 INCAR:
 POTCAR:    PAW_PBE Si 05Jan2001                  

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Si 05Jan2001                  
   VRHFIN =Si: s2p2                                                             
   LEXCH  = PE                                                                  
   EATOM  =   103.0669 eV,    7.5752 Ry                                         
                                                                                
   TITEL  = PAW_PBE Si 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)           
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  322.069                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.950    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.993    radius for radial grids                                 
   RDEPT  =    1.837    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    6 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -1785.8828   2.0000                                         
     2  0  0.50      -139.4969   2.0000                                         
     2  1  1.50       -95.5546   6.0000                                         
     3  0  0.50       -10.8127   2.0000                                         
     3  1  0.50        -4.0811   2.0000                                         
     3  2  1.50        -4.0817   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -10.8127223     23  1.900                                             
     0     -7.6451159     23  1.900                                             
     1     -4.0811372     23  1.900                                             
     1      2.4879257     23  1.900                                             
     2     -4.0817478      7  1.900                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8

  PAW_PBE Si 05Jan2001                  :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.0012 (will be added to EATOM!!)


 POSCAR: Si2                                     
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000



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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.37   2 2.37   2 2.37   2 2.37
   2  0.250  0.250  0.250-   1 2.37   1 2.37   1 2.37   1 2.37


IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.



 KPOINTS: High-symmetry path in the actual POSCAR 
  k-points in reciprocal lattice
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000


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




 Dimension of arrays:
   k-points           NKPTS =    302   k-points in BZ     NKDIM =    302   number of bands    NBANDS=      8
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  21952
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  18152
   dimension x,y,z NGX =    28 NGY =   28 NGZ =   28
   dimension x,y,z NGXF=    56 NGYF=   56 NGZF=   56
   support grid    NGXF=    56 NGYF=   56 NGZF=   56
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  12.04, 12.04, 12.04 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  24.08, 24.08, 24.08 a.u.

 SYSTEM =  dft-agent Si bands                      
 POSCAR =  Si2                                     

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

 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   6.31  6.31  6.31*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  322.1 eV  augmentation charge cutoff
   NELM   =    160;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.342E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.31E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      20.44       137.93
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.950469  1.796125 12.291377  0.903391
  Thomas-Fermi vector in A             =   2.078848

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

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

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

 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



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


 Static calculation
 charge density and potential remain constant during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 no mixing
 using additional bands            4
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections 
 WARNING: stress and forces are not correct
  (second derivative of E(xc) not defined)
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


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


  energy-cutoff  :      400.00
  volume of cell :       40.88
      direct lattice vectors                 reciprocal lattice vectors
     3.348646520  0.000000000  1.933341970     0.298628116 -0.105580983  0.000000000
     1.116215510  3.157134220  1.933341970     0.000000000  0.316742948  0.000000000
     0.000000000  0.000000000  3.866683940    -0.149314058 -0.105580983  0.258619534

  length of vectors
     3.866683940  3.866683944  3.866683940     0.316742948  0.316742948  0.316742948



 k-points in units of 2pi/SCALE and weight: High-symmetry path in the actual POSCAR 
   0.00000000  0.00000000  0.00000000       0.003
  -0.00111428  0.00157584  0.00193000       0.003
  -0.00222857  0.00315167  0.00385999       0.003
  -0.00334285  0.00472751  0.00578999       0.003
  -0.00445714  0.00630334  0.00771999       0.003
  -0.00557142  0.00787918  0.00964998       0.003
  -0.00668570  0.00945501  0.01157998       0.003
  -0.00779999  0.01103085  0.01350998       0.003
  -0.00891427  0.01260668  0.01543997       0.003
  -0.01002856  0.01418252  0.01736997       0.003
  -0.01114284  0.01575836  0.01929997       0.003
  -0.01225712  0.01733419  0.02122996       0.003
  -0.01337141  0.01891003  0.02315996       0.003
  -0.01448569  0.02048586  0.02508995       0.003
  -0.01559998  0.02206170  0.02701995       0.003
  -0.01671426  0.02363753  0.02894995       0.003
  -0.01782854  0.02521337  0.03087994       0.003
  -0.01894283  0.02678920  0.03280994       0.003
  -0.02005711  0.02836504  0.03473994       0.003
  -0.02117140  0.02994088  0.03666993       0.003
  -0.02228568  0.03151671  0.03859993       0.003
  -0.02339996  0.03309255  0.04052993       0.003
  -0.02451425  0.03466838  0.04245992       0.003
  -0.02562853  0.03624422  0.04438992       0.003
  -0.02674282  0.03782005  0.04631992       0.003
  -0.02785710  0.03939589  0.04824991       0.003
  -0.02897138  0.04097172  0.05017991       0.003
  -0.03008567  0.04254756  0.05210991       0.003
  -0.03119995  0.04412340  0.05403990       0.003
  -0.03231424  0.04569923  0.05596990       0.003
  -0.03342852  0.04727507  0.05789990       0.003
  -0.03454280  0.04885090  0.05982989       0.003
  -0.03565709  0.05042674  0.06175989       0.003
  -0.03677137  0.05200257  0.06368989       0.003
  -0.03788566  0.05357841  0.06561988       0.003
  -0.03899994  0.05515424  0.06754988       0.003
  -0.04011422  0.05673008  0.06947987       0.003
  -0.04122851  0.05830592  0.07140987       0.003
  -0.04234279  0.05988175  0.07333987       0.003
  -0.04345708  0.06145759  0.07526986       0.003
  -0.04457136  0.06303342  0.07719986       0.003
  -0.04568564  0.06460926  0.07912986       0.003
  -0.04679993  0.06618509  0.08105985       0.003
  -0.04791421  0.06776093  0.08298985       0.003
  -0.04902850  0.06933676  0.08491985       0.003
  -0.05014278  0.07091260  0.08684984       0.003
  -0.05125706  0.07248844  0.08877984       0.003
  -0.05237135  0.07406427  0.09070984       0.003
  -0.05348563  0.07564011  0.09263983       0.003
  -0.05459992  0.07721594  0.09456983       0.003
  -0.05571420  0.07879178  0.09649983       0.003
  -0.05682848  0.08036761  0.09842982       0.003
  -0.05794277  0.08194345  0.10035982       0.003
  -0.05905705  0.08351928  0.10228982       0.003
  -0.06017134  0.08509512  0.10421981       0.003
  -0.06128562  0.08667096  0.10614981       0.003
  -0.06239990  0.08824679  0.10807981       0.003
  -0.06351419  0.08982263  0.11000980       0.003
  -0.06462847  0.09139846  0.11193980       0.003
  -0.06574276  0.09297430  0.11386979       0.003
  -0.06685704  0.09455013  0.11579979       0.003
  -0.06797132  0.09612597  0.11772979       0.003
  -0.06908561  0.09770180  0.11965978       0.003
  -0.07019989  0.09927764  0.12158978       0.003
  -0.07131418  0.10085348  0.12351978       0.003
  -0.07242846  0.10242931  0.12544977       0.003
  -0.07354274  0.10400515  0.12737977       0.003
  -0.07465703  0.10558098  0.12930977       0.003
  -0.07222256  0.10558098  0.13071531       0.003
  -0.06978809  0.10558098  0.13212085       0.003
  -0.06735362  0.10558098  0.13352639       0.003
  -0.06491916  0.10558098  0.13493193       0.003
  -0.06248469  0.10558098  0.13633747       0.003
  -0.06005022  0.10558098  0.13774301       0.003
  -0.05761575  0.10558098  0.13914855       0.003
  -0.05518128  0.10558098  0.14055409       0.003
  -0.05274681  0.10558098  0.14195964       0.003
  -0.05031235  0.10558098  0.14336518       0.003
  -0.04787788  0.10558098  0.14477072       0.003
  -0.04544341  0.10558098  0.14617626       0.003
  -0.04300894  0.10558098  0.14758180       0.003
  -0.04057447  0.10558098  0.14898734       0.003
  -0.03814000  0.10558098  0.15039288       0.003
  -0.03570554  0.10558098  0.15179842       0.003
  -0.03327107  0.10558098  0.15320396       0.003
  -0.03083660  0.10558098  0.15460950       0.003
  -0.02840213  0.10558098  0.15601505       0.003
  -0.02596766  0.10558098  0.15742059       0.003
  -0.02353319  0.10558098  0.15882613       0.003
  -0.02109873  0.10558098  0.16023167       0.003
  -0.01866426  0.10558098  0.16163721       0.003
   0.05599277  0.15837147  0.09698233       0.003
   0.05521509  0.15617187  0.09563535       0.003
   0.05443742  0.15397227  0.09428837       0.003
   0.05365974  0.15177266  0.09294140       0.003
   0.05288206  0.14957306  0.09159442       0.003
   0.05210438  0.14737346  0.09024744       0.003
   0.05132671  0.14517385  0.08890046       0.003
   0.05054903  0.14297425  0.08755349       0.003
   0.04977135  0.14077464  0.08620651       0.003
   0.04899368  0.13857504  0.08485953       0.003
   0.04821600  0.13637544  0.08351256       0.003
   0.04743832  0.13417583  0.08216558       0.003
   0.04666064  0.13197623  0.08081860       0.003
   0.04588297  0.12977662  0.07947163       0.003
   0.04510529  0.12757702  0.07812465       0.003
   0.04432761  0.12537742  0.07677767       0.003
   0.04354993  0.12317781  0.07543070       0.003
   0.04277226  0.12097821  0.07408372       0.003
   0.04199458  0.11877861  0.07273674       0.003
   0.04121690  0.11657900  0.07138977       0.003
   0.04043922  0.11437940  0.07004279       0.003
   0.03966155  0.11217979  0.06869581       0.003
   0.03888387  0.10998019  0.06734884       0.003
   0.03810619  0.10778059  0.06600186       0.003
   0.03732851  0.10558098  0.06465488       0.003
   0.03655084  0.10338138  0.06330791       0.003
   0.03577316  0.10118178  0.06196093       0.003
   0.03499548  0.09898217  0.06061395       0.003
   0.03421780  0.09678257  0.05926698       0.003
   0.03344013  0.09458296  0.05792000       0.003
   0.03266245  0.09238336  0.05657302       0.003
   0.03188477  0.09018376  0.05522605       0.003
   0.03110710  0.08798415  0.05387907       0.003
   0.03032942  0.08578455  0.05253209       0.003
   0.02955174  0.08358494  0.05118512       0.003
   0.02877406  0.08138534  0.04983814       0.003
   0.02799639  0.07918574  0.04849116       0.003
   0.02721871  0.07698613  0.04714419       0.003
   0.02644103  0.07478653  0.04579721       0.003
   0.02566335  0.07258693  0.04445023       0.003
   0.02488568  0.07038732  0.04310326       0.003
   0.02410800  0.06818772  0.04175628       0.003
   0.02333032  0.06598811  0.04040930       0.003
   0.02255264  0.06378851  0.03906233       0.003
   0.02177497  0.06158891  0.03771535       0.003
   0.02099729  0.05938930  0.03636837       0.003
   0.02021961  0.05718970  0.03502140       0.003
   0.01944193  0.05499010  0.03367442       0.003
   0.01866426  0.05279049  0.03232744       0.003
   0.01788658  0.05059089  0.03098047       0.003
   0.01710890  0.04839128  0.02963349       0.003
   0.01633123  0.04619168  0.02828651       0.003
   0.01555355  0.04399208  0.02693953       0.003
   0.01477587  0.04179247  0.02559256       0.003
   0.01399819  0.03959287  0.02424558       0.003
   0.01322052  0.03739326  0.02289860       0.003
   0.01244284  0.03519366  0.02155163       0.003
   0.01166516  0.03299406  0.02020465       0.003
   0.01088748  0.03079445  0.01885767       0.003
   0.01010981  0.02859485  0.01751070       0.003
   0.00933213  0.02639525  0.01616372       0.003
   0.00855445  0.02419564  0.01481674       0.003
   0.00777677  0.02199604  0.01346977       0.003
   0.00699910  0.01979643  0.01212279       0.003
   0.00622142  0.01759683  0.01077581       0.003
   0.00544374  0.01539723  0.00942884       0.003
   0.00466606  0.01319762  0.00808186       0.003
   0.00388839  0.01099802  0.00673488       0.003
   0.00311071  0.00879842  0.00538791       0.003
   0.00233303  0.00659881  0.00404093       0.003
   0.00155535  0.00439921  0.00269395       0.003
   0.00077768  0.00219960  0.00134698       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00128719  0.00091018  0.00222948       0.003
   0.00257438  0.00182036  0.00445896       0.003
   0.00386157  0.00273054  0.00668844       0.003
   0.00514876  0.00364072  0.00891791       0.003
   0.00643595  0.00455090  0.01114739       0.003
   0.00772314  0.00546109  0.01337687       0.003
   0.00901033  0.00637127  0.01560635       0.003
   0.01029752  0.00728145  0.01783583       0.003
   0.01158471  0.00819163  0.02006531       0.003
   0.01287190  0.00910181  0.02229479       0.003
   0.01415909  0.01001199  0.02452427       0.003
   0.01544628  0.01092217  0.02675374       0.003
   0.01673347  0.01183235  0.02898322       0.003
   0.01802066  0.01274253  0.03121270       0.003
   0.01930785  0.01365271  0.03344218       0.003
   0.02059504  0.01456289  0.03567166       0.003
   0.02188223  0.01547308  0.03790114       0.003
   0.02316942  0.01638326  0.04013062       0.003
   0.02445661  0.01729344  0.04236010       0.003
   0.02574380  0.01820362  0.04458957       0.003
   0.02703099  0.01911380  0.04681905       0.003
   0.02831818  0.02002398  0.04904853       0.003
   0.02960537  0.02093416  0.05127801       0.003
   0.03089256  0.02184434  0.05350749       0.003
   0.03217975  0.02275452  0.05573697       0.003
   0.03346694  0.02366470  0.05796645       0.003
   0.03475413  0.02457488  0.06019593       0.003
   0.03604132  0.02548506  0.06242540       0.003
   0.03732851  0.02639525  0.06465488       0.003
   0.03861570  0.02730543  0.06688436       0.003
   0.03990289  0.02821561  0.06911384       0.003
   0.04119008  0.02912579  0.07134332       0.003
   0.04247728  0.03003597  0.07357280       0.003
   0.04376447  0.03094615  0.07580228       0.003
   0.04505166  0.03185633  0.07803176       0.003
   0.04633885  0.03276651  0.08026123       0.003
   0.04762604  0.03367669  0.08249071       0.003
   0.04891323  0.03458687  0.08472019       0.003
   0.05020042  0.03549705  0.08694967       0.003
   0.05148761  0.03640724  0.08917915       0.003
   0.05277480  0.03731742  0.09140863       0.003
   0.05406199  0.03822760  0.09363811       0.003
   0.05534918  0.03913778  0.09586759       0.003
   0.05663637  0.04004796  0.09809706       0.003
   0.05792356  0.04095814  0.10032654       0.003
   0.05921075  0.04186832  0.10255602       0.003
   0.06049794  0.04277850  0.10478550       0.003
   0.06178513  0.04368868  0.10701498       0.003
   0.06307232  0.04459886  0.10924446       0.003
   0.06435951  0.04550904  0.11147394       0.003
   0.06564670  0.04641923  0.11370342       0.003
   0.06693389  0.04732941  0.11593289       0.003
   0.06822108  0.04823959  0.11816237       0.003
   0.06950827  0.04914977  0.12039185       0.003
   0.07079546  0.05005995  0.12262133       0.003
   0.07208265  0.05097013  0.12485081       0.003
   0.07336984  0.05188031  0.12708029       0.003
   0.07465703  0.05279049  0.12930977       0.003
   0.07306858  0.05503690  0.12930977       0.003
   0.07148013  0.05728330  0.12930977       0.003
   0.06989169  0.05952970  0.12930977       0.003
   0.06830324  0.06177611  0.12930977       0.003
   0.06671479  0.06402251  0.12930977       0.003
   0.06512634  0.06626891  0.12930977       0.003
   0.06353790  0.06851532  0.12930977       0.003
   0.06194945  0.07076172  0.12930977       0.003
   0.06036100  0.07300813  0.12930977       0.003
   0.05877255  0.07525453  0.12930977       0.003
   0.05718411  0.07750093  0.12930977       0.003
   0.05559566  0.07974734  0.12930977       0.003
   0.05400721  0.08199374  0.12930977       0.003
   0.05241876  0.08424015  0.12930977       0.003
   0.05083032  0.08648655  0.12930977       0.003
   0.04924187  0.08873295  0.12930977       0.003
   0.04765342  0.09097936  0.12930977       0.003
   0.04606498  0.09322576  0.12930977       0.003
   0.04447653  0.09547217  0.12930977       0.003
   0.04288808  0.09771857  0.12930977       0.003
   0.04129963  0.09996497  0.12930977       0.003
   0.03971119  0.10221138  0.12930977       0.003
   0.03812274  0.10445778  0.12930977       0.003
   0.03653429  0.10670418  0.12930977       0.003
   0.03494584  0.10895059  0.12930977       0.003
   0.03335740  0.11119699  0.12930977       0.003
   0.03176895  0.11344340  0.12930977       0.003
   0.03018050  0.11568980  0.12930977       0.003
   0.02859205  0.11793620  0.12930977       0.003
   0.02700361  0.12018261  0.12930977       0.003
   0.02541516  0.12242901  0.12930977       0.003
   0.02382671  0.12467542  0.12930977       0.003
   0.02223826  0.12692182  0.12930977       0.003
   0.02064982  0.12916822  0.12930977       0.003
   0.01906137  0.13141463  0.12930977       0.003
   0.01747292  0.13366103  0.12930977       0.003
   0.01588447  0.13590744  0.12930977       0.003
   0.01429603  0.13815384  0.12930977       0.003
   0.01270758  0.14040024  0.12930977       0.003
   0.01111913  0.14264665  0.12930977       0.003
   0.00953068  0.14489305  0.12930977       0.003
   0.00794224  0.14713945  0.12930977       0.003
   0.00635379  0.14938586  0.12930977       0.003
   0.00476534  0.15163226  0.12930977       0.003
   0.00317689  0.15387867  0.12930977       0.003
   0.00158845  0.15612507  0.12930977       0.003
  -0.00000000  0.15837147  0.12930977       0.003
  -0.00226233  0.15677176  0.12930977       0.003
  -0.00452467  0.15517205  0.12930977       0.003
  -0.00678700  0.15357234  0.12930977       0.003
  -0.00904934  0.15197263  0.12930977       0.003
  -0.01131167  0.15037291  0.12930977       0.003
  -0.01357401  0.14877320  0.12930977       0.003
  -0.01583634  0.14717349  0.12930977       0.003
  -0.01809867  0.14557378  0.12930977       0.003
  -0.02036101  0.14397407  0.12930977       0.003
  -0.02262334  0.14237436  0.12930977       0.003
  -0.02488568  0.14077464  0.12930977       0.003
  -0.02714801  0.13917493  0.12930977       0.003
  -0.02941034  0.13757522  0.12930977       0.003
  -0.03167268  0.13597551  0.12930977       0.003
  -0.03393501  0.13437580  0.12930977       0.003
  -0.03619735  0.13277608  0.12930977       0.003
  -0.03845968  0.13117637  0.12930977       0.003
  -0.04072202  0.12957666  0.12930977       0.003
  -0.04298435  0.12797695  0.12930977       0.003
  -0.04524668  0.12637724  0.12930977       0.003
  -0.04750902  0.12477753  0.12930977       0.003
  -0.04977135  0.12317781  0.12930977       0.003
  -0.05203369  0.12157810  0.12930977       0.003
  -0.05429602  0.11997839  0.12930977       0.003
  -0.05655836  0.11837868  0.12930977       0.003
  -0.05882069  0.11677897  0.12930977       0.003
  -0.06108302  0.11517925  0.12930977       0.003
  -0.06334536  0.11357954  0.12930977       0.003
  -0.06560769  0.11197983  0.12930977       0.003
  -0.06787003  0.11038012  0.12930977       0.003
  -0.07013236  0.10878041  0.12930977       0.003
  -0.07239469  0.10718069  0.12930977       0.003
  -0.07465703  0.10558098  0.12930977       0.003

 k-points in reciprocal lattice and weights: High-symmetry path in the actual POSCAR 
   0.00000000  0.00000000  0.00000000       0.003
  -0.00000000  0.00746269  0.00746269       0.003
  -0.00000000  0.01492537  0.01492537       0.003
  -0.00000000  0.02238806  0.02238806       0.003
  -0.00000000  0.02985075  0.02985075       0.003
  -0.00000000  0.03731343  0.03731343       0.003
  -0.00000000  0.04477612  0.04477612       0.003
  -0.00000000  0.05223881  0.05223881       0.003
  -0.00000000  0.05970149  0.05970149       0.003
  -0.00000000  0.06716418  0.06716418       0.003
  -0.00000000  0.07462687  0.07462687       0.003
  -0.00000000  0.08208955  0.08208955       0.003
  -0.00000000  0.08955224  0.08955224       0.003
  -0.00000000  0.09701493  0.09701493       0.003
  -0.00000000  0.10447761  0.10447761       0.003
  -0.00000000  0.11194030  0.11194030       0.003
  -0.00000000  0.11940299  0.11940299       0.003
  -0.00000000  0.12686567  0.12686567       0.003
  -0.00000000  0.13432836  0.13432836       0.003
  -0.00000000  0.14179104  0.14179104       0.003
  -0.00000000  0.14925373  0.14925373       0.003
  -0.00000000  0.15671642  0.15671642       0.003
  -0.00000000  0.16417910  0.16417910       0.003
  -0.00000000  0.17164179  0.17164179       0.003
  -0.00000000  0.17910448  0.17910448       0.003
  -0.00000000  0.18656716  0.18656716       0.003
  -0.00000000  0.19402985  0.19402985       0.003
  -0.00000000  0.20149254  0.20149254       0.003
  -0.00000000  0.20895522  0.20895522       0.003
  -0.00000000  0.21641791  0.21641791       0.003
  -0.00000000  0.22388060  0.22388060       0.003
  -0.00000000  0.23134328  0.23134328       0.003
  -0.00000000  0.23880597  0.23880597       0.003
  -0.00000000  0.24626866  0.24626866       0.003
  -0.00000000  0.25373134  0.25373134       0.003
  -0.00000000  0.26119403  0.26119403       0.003
  -0.00000000  0.26865672  0.26865672       0.003
  -0.00000000  0.27611940  0.27611940       0.003
  -0.00000000  0.28358209  0.28358209       0.003
  -0.00000000  0.29104478  0.29104478       0.003
  -0.00000000  0.29850746  0.29850746       0.003
  -0.00000000  0.30597015  0.30597015       0.003
  -0.00000000  0.31343284  0.31343284       0.003
  -0.00000000  0.32089552  0.32089552       0.003
  -0.00000000  0.32835821  0.32835821       0.003
  -0.00000000  0.33582090  0.33582090       0.003
  -0.00000000  0.34328358  0.34328358       0.003
  -0.00000000  0.35074627  0.35074627       0.003
  -0.00000000  0.35820896  0.35820896       0.003
  -0.00000000  0.36567164  0.36567164       0.003
  -0.00000000  0.37313433  0.37313433       0.003
  -0.00000000  0.38059701  0.38059701       0.003
  -0.00000000  0.38805970  0.38805970       0.003
  -0.00000000  0.39552239  0.39552239       0.003
  -0.00000000  0.40298507  0.40298507       0.003
  -0.00000000  0.41044776  0.41044776       0.003
  -0.00000000  0.41791045  0.41791045       0.003
  -0.00000000  0.42537313  0.42537313       0.003
  -0.00000000  0.43283582  0.43283582       0.003
  -0.00000000  0.44029851  0.44029851       0.003
  -0.00000000  0.44776119  0.44776119       0.003
  -0.00000000  0.45522388  0.45522388       0.003
  -0.00000000  0.46268657  0.46268657       0.003
  -0.00000000  0.47014925  0.47014925       0.003
  -0.00000000  0.47761194  0.47761194       0.003
  -0.00000000  0.48507463  0.48507463       0.003
  -0.00000000  0.49253731  0.49253731       0.003
  -0.00000000  0.50000000  0.50000000       0.003
   0.01086957  0.50543478  0.50543478       0.003
   0.02173913  0.51086957  0.51086957       0.003
   0.03260870  0.51630435  0.51630435       0.003
   0.04347826  0.52173913  0.52173913       0.003
   0.05434783  0.52717391  0.52717391       0.003
   0.06521739  0.53260870  0.53260870       0.003
   0.07608696  0.53804348  0.53804348       0.003
   0.08695652  0.54347826  0.54347826       0.003
   0.09782609  0.54891304  0.54891304       0.003
   0.10869565  0.55434783  0.55434783       0.003
   0.11956522  0.55978261  0.55978261       0.003
   0.13043478  0.56521739  0.56521739       0.003
   0.14130435  0.57065217  0.57065217       0.003
   0.15217391  0.57608696  0.57608696       0.003
   0.16304348  0.58152174  0.58152174       0.003
   0.17391304  0.58695652  0.58695652       0.003
   0.18478261  0.59239130  0.59239130       0.003
   0.19565217  0.59782609  0.59782609       0.003
   0.20652174  0.60326087  0.60326087       0.003
   0.21739130  0.60869565  0.60869565       0.003
   0.22826087  0.61413043  0.61413043       0.003
   0.23913043  0.61956522  0.61956522       0.003
   0.25000000  0.62500000  0.62500000       0.003
   0.37500000  0.75000000  0.37500000       0.003
   0.36979167  0.73958333  0.36979167       0.003
   0.36458333  0.72916667  0.36458333       0.003
   0.35937500  0.71875000  0.35937500       0.003
   0.35416667  0.70833333  0.35416667       0.003
   0.34895833  0.69791667  0.34895833       0.003
   0.34375000  0.68750000  0.34375000       0.003
   0.33854167  0.67708333  0.33854167       0.003
   0.33333333  0.66666667  0.33333333       0.003
   0.32812500  0.65625000  0.32812500       0.003
   0.32291667  0.64583333  0.32291667       0.003
   0.31770833  0.63541667  0.31770833       0.003
   0.31250000  0.62500000  0.31250000       0.003
   0.30729167  0.61458333  0.30729167       0.003
   0.30208333  0.60416667  0.30208333       0.003
   0.29687500  0.59375000  0.29687500       0.003
   0.29166667  0.58333333  0.29166667       0.003
   0.28645833  0.57291667  0.28645833       0.003
   0.28125000  0.56250000  0.28125000       0.003
   0.27604167  0.55208333  0.27604167       0.003
   0.27083333  0.54166667  0.27083333       0.003
   0.26562500  0.53125000  0.26562500       0.003
   0.26041667  0.52083333  0.26041667       0.003
   0.25520833  0.51041667  0.25520833       0.003
   0.25000000  0.50000000  0.25000000       0.003
   0.24479167  0.48958333  0.24479167       0.003
   0.23958333  0.47916667  0.23958333       0.003
   0.23437500  0.46875000  0.23437500       0.003
   0.22916667  0.45833333  0.22916667       0.003
   0.22395833  0.44791667  0.22395833       0.003
   0.21875000  0.43750000  0.21875000       0.003
   0.21354167  0.42708333  0.21354167       0.003
   0.20833333  0.41666667  0.20833333       0.003
   0.20312500  0.40625000  0.20312500       0.003
   0.19791667  0.39583333  0.19791667       0.003
   0.19270833  0.38541667  0.19270833       0.003
   0.18750000  0.37500000  0.18750000       0.003
   0.18229167  0.36458333  0.18229167       0.003
   0.17708333  0.35416667  0.17708333       0.003
   0.17187500  0.34375000  0.17187500       0.003
   0.16666667  0.33333333  0.16666667       0.003
   0.16145833  0.32291667  0.16145833       0.003
   0.15625000  0.31250000  0.15625000       0.003
   0.15104167  0.30208333  0.15104167       0.003
   0.14583333  0.29166667  0.14583333       0.003
   0.14062500  0.28125000  0.14062500       0.003
   0.13541667  0.27083333  0.13541667       0.003
   0.13020833  0.26041667  0.13020833       0.003
   0.12500000  0.25000000  0.12500000       0.003
   0.11979167  0.23958333  0.11979167       0.003
   0.11458333  0.22916667  0.11458333       0.003
   0.10937500  0.21875000  0.10937500       0.003
   0.10416667  0.20833333  0.10416667       0.003
   0.09895833  0.19791667  0.09895833       0.003
   0.09375000  0.18750000  0.09375000       0.003
   0.08854167  0.17708333  0.08854167       0.003
   0.08333333  0.16666667  0.08333333       0.003
   0.07812500  0.15625000  0.07812500       0.003
   0.07291667  0.14583333  0.07291667       0.003
   0.06770833  0.13541667  0.06770833       0.003
   0.06250000  0.12500000  0.06250000       0.003
   0.05729167  0.11458333  0.05729167       0.003
   0.05208333  0.10416667  0.05208333       0.003
   0.04687500  0.09375000  0.04687500       0.003
   0.04166667  0.08333333  0.04166667       0.003
   0.03645833  0.07291667  0.03645833       0.003
   0.03125000  0.06250000  0.03125000       0.003
   0.02604167  0.05208333  0.02604167       0.003
   0.02083333  0.04166667  0.02083333       0.003
   0.01562500  0.03125000  0.01562500       0.003
   0.01041667  0.02083333  0.01041667       0.003
   0.00520833  0.01041667  0.00520833       0.003
   0.00000000  0.00000000  0.00000000       0.003
   0.00862069  0.00862069  0.00862069       0.003
   0.01724138  0.01724138  0.01724138       0.003
   0.02586207  0.02586207  0.02586207       0.003
   0.03448276  0.03448276  0.03448276       0.003
   0.04310345  0.04310345  0.04310345       0.003
   0.05172414  0.05172414  0.05172414       0.003
   0.06034483  0.06034483  0.06034483       0.003
   0.06896552  0.06896552  0.06896552       0.003
   0.07758621  0.07758621  0.07758621       0.003
   0.08620690  0.08620690  0.08620690       0.003
   0.09482759  0.09482759  0.09482759       0.003
   0.10344828  0.10344828  0.10344828       0.003
   0.11206897  0.11206897  0.11206897       0.003
   0.12068966  0.12068966  0.12068966       0.003
   0.12931034  0.12931034  0.12931034       0.003
   0.13793103  0.13793103  0.13793103       0.003
   0.14655172  0.14655172  0.14655172       0.003
   0.15517241  0.15517241  0.15517241       0.003
   0.16379310  0.16379310  0.16379310       0.003
   0.17241379  0.17241379  0.17241379       0.003
   0.18103448  0.18103448  0.18103448       0.003
   0.18965517  0.18965517  0.18965517       0.003
   0.19827586  0.19827586  0.19827586       0.003
   0.20689655  0.20689655  0.20689655       0.003
   0.21551724  0.21551724  0.21551724       0.003
   0.22413793  0.22413793  0.22413793       0.003
   0.23275862  0.23275862  0.23275862       0.003
   0.24137931  0.24137931  0.24137931       0.003
   0.25000000  0.25000000  0.25000000       0.003
   0.25862069  0.25862069  0.25862069       0.003
   0.26724138  0.26724138  0.26724138       0.003
   0.27586207  0.27586207  0.27586207       0.003
   0.28448276  0.28448276  0.28448276       0.003
   0.29310345  0.29310345  0.29310345       0.003
   0.30172414  0.30172414  0.30172414       0.003
   0.31034483  0.31034483  0.31034483       0.003
   0.31896552  0.31896552  0.31896552       0.003
   0.32758621  0.32758621  0.32758621       0.003
   0.33620690  0.33620690  0.33620690       0.003
   0.34482759  0.34482759  0.34482759       0.003
   0.35344828  0.35344828  0.35344828       0.003
   0.36206897  0.36206897  0.36206897       0.003
   0.37068965  0.37068966  0.37068966       0.003
   0.37931034  0.37931035  0.37931034       0.003
   0.38793103  0.38793103  0.38793103       0.003
   0.39655172  0.39655172  0.39655172       0.003
   0.40517241  0.40517241  0.40517241       0.003
   0.41379310  0.41379310  0.41379310       0.003
   0.42241379  0.42241379  0.42241379       0.003
   0.43103448  0.43103448  0.43103448       0.003
   0.43965517  0.43965517  0.43965517       0.003
   0.44827586  0.44827586  0.44827586       0.003
   0.45689655  0.45689655  0.45689655       0.003
   0.46551724  0.46551724  0.46551724       0.003
   0.47413793  0.47413793  0.47413793       0.003
   0.48275862  0.48275862  0.48275862       0.003
   0.49137931  0.49137931  0.49137931       0.003
   0.50000000  0.50000000  0.50000000       0.003
   0.49468085  0.50531915  0.50000000       0.003
   0.48936170  0.51063830  0.50000000       0.003
   0.48404255  0.51595745  0.50000000       0.003
   0.47872340  0.52127660  0.50000000       0.003
   0.47340426  0.52659574  0.50000000       0.003
   0.46808511  0.53191489  0.50000000       0.003
   0.46276596  0.53723404  0.50000000       0.003
   0.45744681  0.54255319  0.50000000       0.003
   0.45212766  0.54787234  0.50000000       0.003
   0.44680851  0.55319149  0.50000000       0.003
   0.44148936  0.55851064  0.50000000       0.003
   0.43617021  0.56382979  0.50000000       0.003
   0.43085106  0.56914894  0.50000000       0.003
   0.42553191  0.57446809  0.50000000       0.003
   0.42021277  0.57978723  0.50000000       0.003
   0.41489362  0.58510638  0.50000000       0.003
   0.40957447  0.59042553  0.50000000       0.003
   0.40425532  0.59574468  0.50000000       0.003
   0.39893617  0.60106383  0.50000000       0.003
   0.39361702  0.60638298  0.50000000       0.003
   0.38829787  0.61170213  0.50000000       0.003
   0.38297872  0.61702128  0.50000000       0.003
   0.37765957  0.62234043  0.50000000       0.003
   0.37234043  0.62765957  0.50000000       0.003
   0.36702128  0.63297872  0.50000000       0.003
   0.36170213  0.63829787  0.50000000       0.003
   0.35638298  0.64361702  0.50000000       0.003
   0.35106383  0.64893617  0.50000000       0.003
   0.34574468  0.65425532  0.50000000       0.003
   0.34042553  0.65957447  0.50000000       0.003
   0.33510638  0.66489362  0.50000000       0.003
   0.32978723  0.67021277  0.50000000       0.003
   0.32446808  0.67553192  0.50000000       0.003
   0.31914894  0.68085106  0.50000000       0.003
   0.31382979  0.68617021  0.50000000       0.003
   0.30851064  0.69148936  0.50000000       0.003
   0.30319149  0.69680851  0.50000000       0.003
   0.29787234  0.70212766  0.50000000       0.003
   0.29255319  0.70744681  0.50000000       0.003
   0.28723404  0.71276596  0.50000000       0.003
   0.28191489  0.71808511  0.50000000       0.003
   0.27659574  0.72340426  0.50000000       0.003
   0.27127660  0.72872340  0.50000000       0.003
   0.26595745  0.73404255  0.50000000       0.003
   0.26063830  0.73936170  0.50000000       0.003
   0.25531915  0.74468085  0.50000000       0.003
   0.25000000  0.75000000  0.50000000       0.003
   0.24242424  0.74242424  0.50000000       0.003
   0.23484848  0.73484849  0.50000000       0.003
   0.22727273  0.72727273  0.50000000       0.003
   0.21969697  0.71969697  0.50000000       0.003
   0.21212121  0.71212121  0.50000000       0.003
   0.20454545  0.70454545  0.50000000       0.003
   0.19696970  0.69696970  0.50000000       0.003
   0.18939394  0.68939394  0.50000000       0.003
   0.18181818  0.68181818  0.50000000       0.003
   0.17424242  0.67424242  0.50000000       0.003
   0.16666667  0.66666667  0.50000000       0.003
   0.15909091  0.65909091  0.50000000       0.003
   0.15151515  0.65151515  0.50000000       0.003
   0.14393939  0.64393939  0.50000000       0.003
   0.13636364  0.63636364  0.50000000       0.003
   0.12878788  0.62878788  0.50000000       0.003
   0.12121212  0.62121212  0.50000000       0.003
   0.11363636  0.61363636  0.50000000       0.003
   0.10606061  0.60606061  0.50000000       0.003
   0.09848485  0.59848485  0.50000000       0.003
   0.09090909  0.59090909  0.50000000       0.003
   0.08333333  0.58333333  0.50000000       0.003
   0.07575758  0.57575758  0.50000000       0.003
   0.06818182  0.56818182  0.50000000       0.003
   0.06060606  0.56060606  0.50000000       0.003
   0.05303030  0.55303030  0.50000000       0.003
   0.04545455  0.54545455  0.50000000       0.003
   0.03787879  0.53787879  0.50000000       0.003
   0.03030303  0.53030303  0.50000000       0.003
   0.02272727  0.52272727  0.50000000       0.003
   0.01515152  0.51515152  0.50000000       0.003
   0.00757576  0.50757576  0.50000000       0.003
  -0.00000000  0.50000000  0.50000000       0.003

 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.25000000  0.25000000  0.25000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.11621551  0.78928356  1.93334197



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     725
 k-point  2 :  -0.0000 0.0075 0.0075  plane waves:     725
 k-point  3 :  -0.0000 0.0149 0.0149  plane waves:     725
 k-point  4 :  -0.0000 0.0224 0.0224  plane waves:     729
 k-point  5 :  -0.0000 0.0299 0.0299  plane waves:     729
 k-point  6 :  -0.0000 0.0373 0.0373  plane waves:     733
 k-point  7 :  -0.0000 0.0448 0.0448  plane waves:     733
 k-point  8 :  -0.0000 0.0522 0.0522  plane waves:     733
 k-point  9 :  -0.0000 0.0597 0.0597  plane waves:     733
 k-point 10 :  -0.0000 0.0672 0.0672  plane waves:     733
 k-point 11 :  -0.0000 0.0746 0.0746  plane waves:     733
 k-point 12 :  -0.0000 0.0821 0.0821  plane waves:     733
 k-point 13 :  -0.0000 0.0896 0.0896  plane waves:     733
 k-point 14 :  -0.0000 0.0970 0.0970  plane waves:     733
 k-point 15 :  -0.0000 0.1045 0.1045  plane waves:     737
 k-point 16 :  -0.0000 0.1119 0.1119  plane waves:     737
 k-point 17 :  -0.0000 0.1194 0.1194  plane waves:     737
 k-point 18 :  -0.0000 0.1269 0.1269  plane waves:     745
 k-point 19 :  -0.0000 0.1343 0.1343  plane waves:     745
 k-point 20 :  -0.0000 0.1418 0.1418  plane waves:     745
 k-point 21 :  -0.0000 0.1493 0.1493  plane waves:     745
 k-point 22 :  -0.0000 0.1567 0.1567  plane waves:     745
 k-point 23 :  -0.0000 0.1642 0.1642  plane waves:     737
 k-point 24 :  -0.0000 0.1716 0.1716  plane waves:     737
 k-point 25 :  -0.0000 0.1791 0.1791  plane waves:     737
 k-point 26 :  -0.0000 0.1866 0.1866  plane waves:     745
 k-point 27 :  -0.0000 0.1940 0.1940  plane waves:     745
 k-point 28 :  -0.0000 0.2015 0.2015  plane waves:     745
 k-point 29 :  -0.0000 0.2090 0.2090  plane waves:     745
 k-point 30 :  -0.0000 0.2164 0.2164  plane waves:     745
 k-point 31 :  -0.0000 0.2239 0.2239  plane waves:     733
 k-point 32 :  -0.0000 0.2313 0.2313  plane waves:     729
 k-point 33 :  -0.0000 0.2388 0.2388  plane waves:     729
 k-point 34 :  -0.0000 0.2463 0.2463  plane waves:     729
 k-point 35 :  -0.0000 0.2537 0.2537  plane waves:     729
 k-point 36 :  -0.0000 0.2612 0.2612  plane waves:     729
 k-point 37 :  -0.0000 0.2687 0.2687  plane waves:     729
 k-point 38 :  -0.0000 0.2761 0.2761  plane waves:     729
 k-point 39 :  -0.0000 0.2836 0.2836  plane waves:     729
 k-point 40 :  -0.0000 0.2910 0.2910  plane waves:     729
 k-point 41 :  -0.0000 0.2985 0.2985  plane waves:     729
 k-point 42 :  -0.0000 0.3060 0.3060  plane waves:     733
 k-point 43 :  -0.0000 0.3134 0.3134  plane waves:     733
 k-point 44 :  -0.0000 0.3209 0.3209  plane waves:     733
 k-point 45 :  -0.0000 0.3284 0.3284  plane waves:     741
 k-point 46 :  -0.0000 0.3358 0.3358  plane waves:     749
 k-point 47 :  -0.0000 0.3433 0.3433  plane waves:     749
 k-point 48 :  -0.0000 0.3507 0.3507  plane waves:     745
 k-point 49 :  -0.0000 0.3582 0.3582  plane waves:     745
 k-point 50 :  -0.0000 0.3657 0.3657  plane waves:     745
 k-point 51 :  -0.0000 0.3731 0.3731  plane waves:     741
 k-point 52 :  -0.0000 0.3806 0.3806  plane waves:     749
 k-point 53 :  -0.0000 0.3881 0.3881  plane waves:     749
 k-point 54 :  -0.0000 0.3955 0.3955  plane waves:     749
 k-point 55 :  -0.0000 0.4030 0.4030  plane waves:     749
 k-point 56 :  -0.0000 0.4104 0.4104  plane waves:     749
 k-point 57 :  -0.0000 0.4179 0.4179  plane waves:     749
 k-point 58 :  -0.0000 0.4254 0.4254  plane waves:     745
 k-point 59 :  -0.0000 0.4328 0.4328  plane waves:     745
 k-point 60 :  -0.0000 0.4403 0.4403  plane waves:     745
 k-point 61 :  -0.0000 0.4478 0.4478  plane waves:     741
 k-point 62 :  -0.0000 0.4552 0.4552  plane waves:     741
 k-point 63 :  -0.0000 0.4627 0.4627  plane waves:     740
 k-point 64 :  -0.0000 0.4701 0.4701  plane waves:     740
 k-point 65 :  -0.0000 0.4776 0.4776  plane waves:     740
 k-point 66 :  -0.0000 0.4851 0.4851  plane waves:     740
 k-point 67 :  -0.0000 0.4925 0.4925  plane waves:     740
 k-point 68 :  -0.0000 0.5000 0.5000  plane waves:     740
 k-point 69 :   0.0109 0.5054 0.5054  plane waves:     740
 k-point 70 :   0.0217 0.5109 0.5109  plane waves:     740
 k-point 71 :   0.0326 0.5163 0.5163  plane waves:     740
 k-point 72 :   0.0435 0.5217 0.5217  plane waves:     740
 k-point 73 :   0.0543 0.5272 0.5272  plane waves:     740
 k-point 74 :   0.0652 0.5326 0.5326  plane waves:     742
 k-point 75 :   0.0761 0.5380 0.5380  plane waves:     742
 k-point 76 :   0.0870 0.5435 0.5435  plane waves:     742
 k-point 77 :   0.0978 0.5489 0.5489  plane waves:     744
 k-point 78 :   0.1087 0.5543 0.5543  plane waves:     744
 k-point 79 :   0.1196 0.5598 0.5598  plane waves:     744
 k-point 80 :   0.1304 0.5652 0.5652  plane waves:     738
 k-point 81 :   0.1413 0.5707 0.5707  plane waves:     738
 k-point 82 :   0.1522 0.5761 0.5761  plane waves:     738
 k-point 83 :   0.1630 0.5815 0.5815  plane waves:     740
 k-point 84 :   0.1739 0.5870 0.5870  plane waves:     740
 k-point 85 :   0.1848 0.5924 0.5924  plane waves:     740
 k-point 86 :   0.1957 0.5978 0.5978  plane waves:     744
 k-point 87 :   0.2065 0.6033 0.6033  plane waves:     740
 k-point 88 :   0.2174 0.6087 0.6087  plane waves:     742
 k-point 89 :   0.2283 0.6141 0.6141  plane waves:     740
 k-point 90 :   0.2391 0.6196 0.6196  plane waves:     740
 k-point 91 :   0.2500 0.6250 0.6250  plane waves:     740
 k-point 92 :   0.3750 0.7500 0.3750  plane waves:     740
 k-point 93 :   0.3698 0.7396 0.3698  plane waves:     740
 k-point 94 :   0.3646 0.7292 0.3646  plane waves:     734
 k-point 95 :   0.3594 0.7188 0.3594  plane waves:     734
 k-point 96 :   0.3542 0.7083 0.3542  plane waves:     734
 k-point 97 :   0.3490 0.6979 0.3490  plane waves:     734
 k-point 98 :   0.3437 0.6875 0.3437  plane waves:     734
 k-point 99 :   0.3385 0.6771 0.3385  plane waves:     734
 k-point ** :   0.3333 0.6667 0.3333  plane waves:     730
 k-point ** :   0.3281 0.6563 0.3281  plane waves:     736
 k-point ** :   0.3229 0.6458 0.3229  plane waves:     736
 k-point ** :   0.3177 0.6354 0.3177  plane waves:     736
 k-point ** :   0.3125 0.6250 0.3125  plane waves:     736
 k-point ** :   0.3073 0.6146 0.3073  plane waves:     736
 k-point ** :   0.3021 0.6042 0.3021  plane waves:     732
 k-point ** :   0.2969 0.5938 0.2969  plane waves:     732
 k-point ** :   0.2917 0.5833 0.2917  plane waves:     736
 k-point ** :   0.2865 0.5729 0.2865  plane waves:     736
 k-point ** :   0.2812 0.5625 0.2812  plane waves:     744
 k-point ** :   0.2760 0.5521 0.2760  plane waves:     744
 k-point ** :   0.2708 0.5417 0.2708  plane waves:     750
 k-point ** :   0.2656 0.5313 0.2656  plane waves:     750
 k-point ** :   0.2604 0.5208 0.2604  plane waves:     750
 k-point ** :   0.2552 0.5104 0.2552  plane waves:     750
 k-point ** :   0.2500 0.5000 0.2500  plane waves:     754
 k-point ** :   0.2448 0.4896 0.2448  plane waves:     746
 k-point ** :   0.2396 0.4792 0.2396  plane waves:     746
 k-point ** :   0.2344 0.4688 0.2344  plane waves:     746
 k-point ** :   0.2292 0.4583 0.2292  plane waves:     746
 k-point ** :   0.2240 0.4479 0.2240  plane waves:     746
 k-point ** :   0.2187 0.4375 0.2187  plane waves:     742
 k-point ** :   0.2135 0.4271 0.2135  plane waves:     742
 k-point ** :   0.2083 0.4167 0.2083  plane waves:     742
 k-point ** :   0.2031 0.4063 0.2031  plane waves:     742
 k-point ** :   0.1979 0.3958 0.1979  plane waves:     738
 k-point ** :   0.1927 0.3854 0.1927  plane waves:     738
 k-point ** :   0.1875 0.3750 0.1875  plane waves:     738
 k-point ** :   0.1823 0.3646 0.1823  plane waves:     738
 k-point ** :   0.1771 0.3542 0.1771  plane waves:     748
 k-point ** :   0.1719 0.3438 0.1719  plane waves:     748
 k-point ** :   0.1667 0.3333 0.1667  plane waves:     748
 k-point ** :   0.1615 0.3229 0.1615  plane waves:     748
 k-point ** :   0.1562 0.3125 0.1562  plane waves:     748
 k-point ** :   0.1510 0.3021 0.1510  plane waves:     749
 k-point ** :   0.1458 0.2917 0.1458  plane waves:     749
 k-point ** :   0.1406 0.2813 0.1406  plane waves:     749
 k-point ** :   0.1354 0.2708 0.1354  plane waves:     753
 k-point ** :   0.1302 0.2604 0.1302  plane waves:     753
 k-point ** :   0.1250 0.2500 0.1250  plane waves:     753
 k-point ** :   0.1198 0.2396 0.1198  plane waves:     753
 k-point ** :   0.1146 0.2292 0.1146  plane waves:     749
 k-point ** :   0.1094 0.2188 0.1094  plane waves:     743
 k-point ** :   0.1042 0.2083 0.1042  plane waves:     747
 k-point ** :   0.0990 0.1979 0.0990  plane waves:     747
 k-point ** :   0.0937 0.1875 0.0937  plane waves:     743
 k-point ** :   0.0885 0.1771 0.0885  plane waves:     739
 k-point ** :   0.0833 0.1667 0.0833  plane waves:     739
 k-point ** :   0.0781 0.1563 0.0781  plane waves:     739
 k-point ** :   0.0729 0.1458 0.0729  plane waves:     735
 k-point ** :   0.0677 0.1354 0.0677  plane waves:     737
 k-point ** :   0.0625 0.1250 0.0625  plane waves:     737
 k-point ** :   0.0573 0.1146 0.0573  plane waves:     737
 k-point ** :   0.0521 0.1042 0.0521  plane waves:     737
 k-point ** :   0.0469 0.0938 0.0469  plane waves:     737
 k-point ** :   0.0417 0.0833 0.0417  plane waves:     737
 k-point ** :   0.0365 0.0729 0.0365  plane waves:     737
 k-point ** :   0.0312 0.0625 0.0312  plane waves:     737
 k-point ** :   0.0260 0.0521 0.0260  plane waves:     731
 k-point ** :   0.0208 0.0417 0.0208  plane waves:     731
 k-point ** :   0.0156 0.0313 0.0156  plane waves:     731
 k-point ** :   0.0104 0.0208 0.0104  plane waves:     727
 k-point ** :   0.0052 0.0104 0.0052  plane waves:     725
 k-point ** :   0.0000 0.0000 0.0000  plane waves:     725
 k-point ** :   0.0086 0.0086 0.0086  plane waves:     725
 k-point ** :   0.0172 0.0172 0.0172  plane waves:     725
 k-point ** :   0.0259 0.0259 0.0259  plane waves:     731
 k-point ** :   0.0345 0.0345 0.0345  plane waves:     731
 k-point ** :   0.0431 0.0431 0.0431  plane waves:     731
 k-point ** :   0.0517 0.0517 0.0517  plane waves:     731
 k-point ** :   0.0603 0.0603 0.0603  plane waves:     731
 k-point ** :   0.0690 0.0690 0.0690  plane waves:     737
 k-point ** :   0.0776 0.0776 0.0776  plane waves:     737
 k-point ** :   0.0862 0.0862 0.0862  plane waves:     737
 k-point ** :   0.0948 0.0948 0.0948  plane waves:     737
 k-point ** :   0.1034 0.1034 0.1034  plane waves:     737
 k-point ** :   0.1121 0.1121 0.1121  plane waves:     737
 k-point ** :   0.1207 0.1207 0.1207  plane waves:     743
 k-point ** :   0.1293 0.1293 0.1293  plane waves:     740
 k-point ** :   0.1379 0.1379 0.1379  plane waves:     740
 k-point ** :   0.1466 0.1466 0.1466  plane waves:     740
 k-point ** :   0.1552 0.1552 0.1552  plane waves:     739
 k-point ** :   0.1638 0.1638 0.1638  plane waves:     748
 k-point ** :   0.1724 0.1724 0.1724  plane waves:     739
 k-point ** :   0.1810 0.1810 0.1810  plane waves:     739
 k-point ** :   0.1897 0.1897 0.1897  plane waves:     739
 k-point ** :   0.1983 0.1983 0.1983  plane waves:     739
 k-point ** :   0.2069 0.2069 0.2069  plane waves:     745
 k-point ** :   0.2155 0.2155 0.2155  plane waves:     745
 k-point ** :   0.2241 0.2241 0.2241  plane waves:     745
 k-point ** :   0.2328 0.2328 0.2328  plane waves:     751
 k-point ** :   0.2414 0.2414 0.2414  plane waves:     751
 k-point ** :   0.2500 0.2500 0.2500  plane waves:     751
 k-point ** :   0.2586 0.2586 0.2586  plane waves:     751
 k-point ** :   0.2672 0.2672 0.2672  plane waves:     754
 k-point ** :   0.2759 0.2759 0.2759  plane waves:     757
 k-point ** :   0.2845 0.2845 0.2845  plane waves:     757
 k-point ** :   0.2931 0.2931 0.2931  plane waves:     757
 k-point ** :   0.3017 0.3017 0.3017  plane waves:     757
 k-point ** :   0.3103 0.3103 0.3103  plane waves:     751
 k-point ** :   0.3190 0.3190 0.3190  plane waves:     751
 k-point ** :   0.3276 0.3276 0.3276  plane waves:     751
 k-point ** :   0.3362 0.3362 0.3362  plane waves:     751
 k-point ** :   0.3448 0.3448 0.3448  plane waves:     751
 k-point ** :   0.3534 0.3534 0.3534  plane waves:     751
 k-point ** :   0.3621 0.3621 0.3621  plane waves:     751
 k-point ** :   0.3707 0.3707 0.3707  plane waves:     751
 k-point ** :   0.3793 0.3793 0.3793  plane waves:     751
 k-point ** :   0.3879 0.3879 0.3879  plane waves:     751
 k-point ** :   0.3966 0.3966 0.3966  plane waves:     754
 k-point ** :   0.4052 0.4052 0.4052  plane waves:     751
 k-point ** :   0.4138 0.4138 0.4138  plane waves:     751
 k-point ** :   0.4224 0.4224 0.4224  plane waves:     757
 k-point ** :   0.4310 0.4310 0.4310  plane waves:     757
 k-point ** :   0.4397 0.4397 0.4397  plane waves:     751
 k-point ** :   0.4483 0.4483 0.4483  plane waves:     751
 k-point ** :   0.4569 0.4569 0.4569  plane waves:     751
 k-point ** :   0.4655 0.4655 0.4655  plane waves:     748
 k-point ** :   0.4741 0.4741 0.4741  plane waves:     754
 k-point ** :   0.4828 0.4828 0.4828  plane waves:     754
 k-point ** :   0.4914 0.4914 0.4914  plane waves:     754
 k-point ** :   0.5000 0.5000 0.5000  plane waves:     754
 k-point ** :   0.4947 0.5053 0.5000  plane waves:     754
 k-point ** :   0.4894 0.5106 0.5000  plane waves:     754
 k-point ** :   0.4840 0.5160 0.5000  plane waves:     754
 k-point ** :   0.4787 0.5213 0.5000  plane waves:     750
 k-point ** :   0.4734 0.5266 0.5000  plane waves:     746
 k-point ** :   0.4681 0.5319 0.5000  plane waves:     744
 k-point ** :   0.4628 0.5372 0.5000  plane waves:     744
 k-point ** :   0.4574 0.5426 0.5000  plane waves:     744
 k-point ** :   0.4521 0.5479 0.5000  plane waves:     742
 k-point ** :   0.4468 0.5532 0.5000  plane waves:     744
 k-point ** :   0.4415 0.5585 0.5000  plane waves:     742
 k-point ** :   0.4362 0.5638 0.5000  plane waves:     742
 k-point ** :   0.4309 0.5691 0.5000  plane waves:     742
 k-point ** :   0.4255 0.5745 0.5000  plane waves:     742
 k-point ** :   0.4202 0.5798 0.5000  plane waves:     742
 k-point ** :   0.4149 0.5851 0.5000  plane waves:     746
 k-point ** :   0.4096 0.5904 0.5000  plane waves:     744
 k-point ** :   0.4043 0.5957 0.5000  plane waves:     744
 k-point ** :   0.3989 0.6011 0.5000  plane waves:     742
 k-point ** :   0.3936 0.6064 0.5000  plane waves:     742
 k-point ** :   0.3883 0.6117 0.5000  plane waves:     746
 k-point ** :   0.3830 0.6170 0.5000  plane waves:     740
 k-point ** :   0.3777 0.6223 0.5000  plane waves:     740
 k-point ** :   0.3723 0.6277 0.5000  plane waves:     740
 k-point ** :   0.3670 0.6330 0.5000  plane waves:     740
 k-point ** :   0.3617 0.6383 0.5000  plane waves:     740
 k-point ** :   0.3564 0.6436 0.5000  plane waves:     740
 k-point ** :   0.3511 0.6489 0.5000  plane waves:     734
 k-point ** :   0.3457 0.6543 0.5000  plane waves:     734
 k-point ** :   0.3404 0.6596 0.5000  plane waves:     736
 k-point ** :   0.3351 0.6649 0.5000  plane waves:     734
 k-point ** :   0.3298 0.6702 0.5000  plane waves:     734
 k-point ** :   0.3245 0.6755 0.5000  plane waves:     736
 k-point ** :   0.3191 0.6809 0.5000  plane waves:     736
 k-point ** :   0.3138 0.6862 0.5000  plane waves:     736
 k-point ** :   0.3085 0.6915 0.5000  plane waves:     736
 k-point ** :   0.3032 0.6968 0.5000  plane waves:     736
 k-point ** :   0.2979 0.7021 0.5000  plane waves:     736
 k-point ** :   0.2926 0.7074 0.5000  plane waves:     736
 k-point ** :   0.2872 0.7128 0.5000  plane waves:     734
 k-point ** :   0.2819 0.7181 0.5000  plane waves:     734
 k-point ** :   0.2766 0.7234 0.5000  plane waves:     734
 k-point ** :   0.2713 0.7287 0.5000  plane waves:     734
 k-point ** :   0.2660 0.7340 0.5000  plane waves:     734
 k-point ** :   0.2606 0.7394 0.5000  plane waves:     738
 k-point ** :   0.2553 0.7447 0.5000  plane waves:     744
 k-point ** :   0.2500 0.7500 0.5000  plane waves:     744
 k-point ** :   0.2424 0.7424 0.5000  plane waves:     744
 k-point ** :   0.2348 0.7348 0.5000  plane waves:     738
 k-point ** :   0.2273 0.7273 0.5000  plane waves:     738
 k-point ** :   0.2197 0.7197 0.5000  plane waves:     734
 k-point ** :   0.2121 0.7121 0.5000  plane waves:     734
 k-point ** :   0.2045 0.7045 0.5000  plane waves:     734
 k-point ** :   0.1970 0.6970 0.5000  plane waves:     736
 k-point ** :   0.1894 0.6894 0.5000  plane waves:     742
 k-point ** :   0.1818 0.6818 0.5000  plane waves:     738
 k-point ** :   0.1742 0.6742 0.5000  plane waves:     738
 k-point ** :   0.1667 0.6667 0.5000  plane waves:     738
 k-point ** :   0.1591 0.6591 0.5000  plane waves:     738
 k-point ** :   0.1515 0.6515 0.5000  plane waves:     742
 k-point ** :   0.1439 0.6439 0.5000  plane waves:     742
 k-point ** :   0.1364 0.6364 0.5000  plane waves:     742
 k-point ** :   0.1288 0.6288 0.5000  plane waves:     742
 k-point ** :   0.1212 0.6212 0.5000  plane waves:     742
 k-point ** :   0.1136 0.6136 0.5000  plane waves:     742
 k-point ** :   0.1061 0.6061 0.5000  plane waves:     742
 k-point ** :   0.0985 0.5985 0.5000  plane waves:     746
 k-point ** :   0.0909 0.5909 0.5000  plane waves:     738
 k-point ** :   0.0833 0.5833 0.5000  plane waves:     738
 k-point ** :   0.0758 0.5758 0.5000  plane waves:     742
 k-point ** :   0.0682 0.5682 0.5000  plane waves:     744
 k-point ** :   0.0606 0.5606 0.5000  plane waves:     740
 k-point ** :   0.0530 0.5530 0.5000  plane waves:     744
 k-point ** :   0.0455 0.5455 0.5000  plane waves:     740
 k-point ** :   0.0379 0.5379 0.5000  plane waves:     740
 k-point ** :   0.0303 0.5303 0.5000  plane waves:     740
 k-point ** :   0.0227 0.5227 0.5000  plane waves:     740
 k-point ** :   0.0152 0.5152 0.5000  plane waves:     740
 k-point ** :   0.0076 0.5076 0.5000  plane waves:     740
 k-point ** :  -0.0000 0.5000 0.5000  plane waves:     740

 maximum and minimum number of plane-waves per node :       757      725

 maximum number of plane-waves:       757
 maximum index in each direction: 
   IXMAX=    6   IYMAX=    6   IZMAX=    6
   IXMIN=   -6   IYMIN=   -7   IZMIN=   -6


 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    51295. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      14713. kBytes
   fftplans  :        858. kBytes
   grid      :       1969. kBytes
   one-center:          6. kBytes
   wavefun   :       3749. kBytes

     INWAV:  cpu time    0.0000: real time    0.0003
 initial charge density was supplied:
 number of electron       8.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         2197 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.515
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0004: real time    0.0004


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


    POTLOK:  cpu time    0.0101: real time    0.0114
    SETDIJ:  cpu time    0.0232: real time    0.0233
     EDDAV:  cpu time    0.5032: real time    0.5064
       DOS:  cpu time    0.0007: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time    0.5371: real time    0.5418

 eigenvalue-minimisations  :  4832
 total energy-change (2. order) : 0.7817405E+01  (-0.2881350E+03)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00069575
  eigenvalues    EBANDS =        23.59994820
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         7.81740472 eV

  energy without entropy =        7.81810047  energy(sigma->0) =        7.81775259


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




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


     EDDAV:  cpu time    0.7343: real time    0.7392
       DOS:  cpu time    0.0005: real time    0.0006
    --------------------------------------------
      LOOP:  cpu time    0.7348: real time    0.7398

 eigenvalue-minimisations  :  7560
 total energy-change (2. order) :-0.1550129E+02  (-0.1481272E+02)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00036777
  eigenvalues    EBANDS =         8.09833154
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.68388396 eV

  energy without entropy =       -7.68351619  energy(sigma->0) =       -7.68370008


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




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


     EDDAV:  cpu time    0.6325: real time    0.6369
       DOS:  cpu time    0.0003: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    0.6328: real time    0.6373

 eigenvalue-minimisations  :  6184
 total energy-change (2. order) :-0.2298927E+00  (-0.2258100E+00)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.86807104
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91377670 eV

  energy without entropy =       -7.91377670  energy(sigma->0) =       -7.91377670


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




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


     EDDAV:  cpu time    0.7707: real time    0.7759
       DOS:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    0.7709: real time    0.7763

 eigenvalue-minimisations  :  7992
 total energy-change (2. order) :-0.1050026E-02  (-0.1050026E-02)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.86702101
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91482672 eV

  energy without entropy =       -7.91482672  energy(sigma->0) =       -7.91482672


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




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


     EDDAV:  cpu time    0.6148: real time    0.6189
       DOS:  cpu time    0.0004: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    0.6151: real time    0.6194

 eigenvalue-minimisations  :  6264
 total energy-change (2. order) :-0.1929507E-05  (-0.1928957E-05)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.86701908
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91482865 eV

  energy without entropy =       -7.91482865  energy(sigma->0) =       -7.91482865


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




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


     EDDAV:  cpu time    0.7806: real time    0.7858
       DOS:  cpu time    0.0003: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    0.7810: real time    0.7862

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) :-0.2678485E-07  (-0.2733556E-07)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29392320
  Ewald energy   TEWEN  =      -226.96196464
  -Hartree energ DENC   =       -15.16800209
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05815301
  PAW double counting   =       828.84638376     -793.86552742
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.86701906
  atomic energy  EATOM  =       206.13149246
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91482868 eV

  energy without entropy =       -7.91482868  energy(sigma->0) =       -7.91482868


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




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.4794       2 -83.4794



 E-fermi :   5.8835     XC(G=0):  -9.3283     alpha+bet :-11.7344


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1981      2.00000
      2       5.6182      2.00000
      3       5.6182      2.00000
      4       5.6182      2.00000
      5       8.1755      0.00000
      6       8.1755      0.00000
      7       8.1755      0.00000
      8       8.7544      0.00000

 k-point     2 :      -0.0000    0.0075    0.0075
  band No.  band energies     occupation 
      1      -6.1971      2.00000
      2       5.6112      2.00000
      3       5.6141      2.00000
      4       5.6141      2.00000
      5       8.1731      0.00000
      6       8.1809      0.00000
      7       8.1809      0.00000
      8       8.7613      0.00000

 k-point     3 :      -0.0000    0.0149    0.0149
  band No.  band energies     occupation 
      1      -6.1943      2.00000
      2       5.5903      2.00000
      3       5.6017      2.00000
      4       5.6017      2.00000
      5       8.1660      0.00000
      6       8.1967      0.00000
      7       8.1967      0.00000
      8       8.7818      0.00000

 k-point     4 :      -0.0000    0.0224    0.0224
  band No.  band energies     occupation 
      1      -6.1895      2.00000
      2       5.5560      2.00000
      3       5.5815      2.00000
      4       5.5815      2.00000
      5       8.1541      0.00000
      6       8.2229      0.00000
      7       8.2229      0.00000
      8       8.8153      0.00000

 k-point     5 :      -0.0000    0.0299    0.0299
  band No.  band energies     occupation 
      1      -6.1828      2.00000
      2       5.5094      2.00000
      3       5.5539      2.00000
      4       5.5539      2.00000
      5       8.1377      0.00000
      6       8.2587      0.00000
      7       8.2587      0.00000
      8       8.8608      0.00000

 k-point     6 :      -0.0000    0.0373    0.0373
  band No.  band energies     occupation 
      1      -6.1741      2.00000
      2       5.4513      2.00000
      3       5.5195      2.00000
      4       5.5195      2.00000
      5       8.1169      0.00000
      6       8.3037      0.00000
      7       8.3037      0.00000
      8       8.9171      0.00000

 k-point     7 :      -0.0000    0.0448    0.0448
  band No.  band energies     occupation 
      1      -6.1636      2.00000
      2       5.3830      2.00000
      3       5.4790      2.00000
      4       5.4790      2.00000
      5       8.0919      0.00000
      6       8.3571      0.00000
      7       8.3571      0.00000
      8       8.9828      0.00000

 k-point     8 :      -0.0000    0.0522    0.0522
  band No.  band energies     occupation 
      1      -6.1512      2.00000
      2       5.3056      2.00000
      3       5.4332      2.00000
      4       5.4332      2.00000
      5       8.0630      0.00000
      6       8.4183      0.00000
      7       8.4183      0.00000
      8       9.0563      0.00000

 k-point     9 :      -0.0000    0.0597    0.0597
  band No.  band energies     occupation 
      1      -6.1368      2.00000
      2       5.2203      2.00000
      3       5.3827      2.00000
      4       5.3827      2.00000
      5       8.0304      0.00000
      6       8.4864      0.00000
      7       8.4864      0.00000
      8       9.1363      0.00000

 k-point    10 :      -0.0000    0.0672    0.0672
  band No.  band energies     occupation 
      1      -6.1205      2.00000
      2       5.1281      2.00000
      3       5.3283      2.00000
      4       5.3283      2.00000
      5       7.9945      0.00000
      6       8.5609      0.00000
      7       8.5609      0.00000
      8       9.2211      0.00000

 k-point    11 :      -0.0000    0.0746    0.0746
  band No.  band energies     occupation 
      1      -6.1023      2.00000
      2       5.0300      2.00000
      3       5.2705      2.00000
      4       5.2705      2.00000
      5       7.9554      0.00000
      6       8.6410      0.00000
      7       8.6410      0.00000
      8       9.3091      0.00000

 k-point    12 :      -0.0000    0.0821    0.0821
  band No.  band energies     occupation 
      1      -6.0823      2.00000
      2       4.9269      2.00000
      3       5.2100      2.00000
      4       5.2100      2.00000
      5       7.9136      0.00000
      6       8.7261      0.00000
      7       8.7261      0.00000
      8       9.3987      0.00000

 k-point    13 :      -0.0000    0.0896    0.0896
  band No.  band energies     occupation 
      1      -6.0603      2.00000
      2       4.8194      2.00000
      3       5.1473      2.00000
      4       5.1473      2.00000
      5       7.8693      0.00000
      6       8.8158      0.00000
      7       8.8158      0.00000
      8       9.4880      0.00000

 k-point    14 :      -0.0000    0.0970    0.0970
  band No.  band energies     occupation 
      1      -6.0364      2.00000
      2       4.7082      2.00000
      3       5.0828      2.00000
      4       5.0828      2.00000
      5       7.8229      0.00000
      6       8.9095      0.00000
      7       8.9095      0.00000
      8       9.5751      0.00000

 k-point    15 :      -0.0000    0.1045    0.1045
  band No.  band energies     occupation 
      1      -6.0106      2.00000
      2       4.5938      2.00000
      3       5.0169      2.00000
      4       5.0169      2.00000
      5       7.7746      0.00000
      6       9.0069      0.00000
      7       9.0069      0.00000
      8       9.6577      0.00000

 k-point    16 :      -0.0000    0.1119    0.1119
  band No.  band energies     occupation 
      1      -5.9830      2.00000
      2       4.4766      2.00000
      3       4.9500      2.00000
      4       4.9500      2.00000
      5       7.7246      0.00000
      6       9.1076      0.00000
      7       9.1076      0.00000
      8       9.7334      0.00000

 k-point    17 :      -0.0000    0.1194    0.1194
  band No.  band energies     occupation 
      1      -5.9534      2.00000
      2       4.3572      2.00000
      3       4.8824      2.00000
      4       4.8824      2.00000
      5       7.6734      0.00000
      6       9.2112      0.00000
      7       9.2112      0.00000
      8       9.7993      0.00000

 k-point    18 :      -0.0000    0.1269    0.1269
  band No.  band energies     occupation 
      1      -5.9219      2.00000
      2       4.2357      2.00000
      3       4.8144      2.00000
      4       4.8144      2.00000
      5       7.6210      0.00000
      6       9.3175      0.00000
      7       9.3175      0.00000
      8       9.8523      0.00000

 k-point    19 :      -0.0000    0.1343    0.1343
  band No.  band energies     occupation 
      1      -5.8886      2.00000
      2       4.1126      2.00000
      3       4.7462      2.00000
      4       4.7462      2.00000
      5       7.5679      0.00000
      6       9.4263      0.00000
      7       9.4263      0.00000
      8       9.8897      0.00000

 k-point    20 :      -0.0000    0.1418    0.1418
  band No.  band energies     occupation 
      1      -5.8534      2.00000
      2       3.9879      2.00000
      3       4.6780      2.00000
      4       4.6780      2.00000
      5       7.5141      0.00000
      6       9.5372      0.00000
      7       9.5372      0.00000
      8       9.9087      0.00000

 k-point    21 :      -0.0000    0.1493    0.1493
  band No.  band energies     occupation 
      1      -5.8163      2.00000
      2       3.8620      2.00000
      3       4.6101      2.00000
      4       4.6101      2.00000
      5       7.4599      0.00000
      6       9.6502      0.00000
      7       9.6502      0.00000
      8       9.9079      0.00000

 k-point    22 :      -0.0000    0.1567    0.1567
  band No.  band energies     occupation 
      1      -5.7774      2.00000
      2       3.7350      2.00000
      3       4.5425      2.00000
      4       4.5425      2.00000
      5       7.4055      0.00000
      6       9.7650      0.00000
      7       9.7650      0.00000
      8       9.8872      0.00000

 k-point    23 :      -0.0000    0.1642    0.1642
  band No.  band energies     occupation 
      1      -5.7365      2.00000
      2       3.6071      2.00000
      3       4.4754      2.00000
      4       4.4754      2.00000
      5       7.3512      0.00000
      6       9.8478      0.00000
      7       9.8816      0.00000
      8       9.8816      0.00000

 k-point    24 :      -0.0000    0.1716    0.1716
  band No.  band energies     occupation 
      1      -5.6939      2.00000
      2       3.4784      2.00000
      3       4.4089      2.00000
      4       4.4089      2.00000
      5       7.2969      0.00000
      6       9.7916      0.00000
      7       9.9996      0.00000
      8       9.9996      0.00000

 k-point    25 :      -0.0000    0.1791    0.1791
  band No.  band energies     occupation 
      1      -5.6493      2.00000
      2       3.3490      2.00000
      3       4.3431      2.00000
      4       4.3431      2.00000
      5       7.2430      0.00000
      6       9.7214      0.00000
      7      10.1191      0.00000
      8      10.1191      0.00000

 k-point    26 :      -0.0000    0.1866    0.1866
  band No.  band energies     occupation 
      1      -5.6030      2.00000
      2       3.2189      2.00000
      3       4.2781      2.00000
      4       4.2781      2.00000
      5       7.1894      0.00000
      6       9.6399      0.00000
      7      10.2399      0.00000
      8      10.2399      0.00000

 k-point    27 :      -0.0000    0.1940    0.1940
  band No.  band energies     occupation 
      1      -5.5548      2.00000
      2       3.0884      2.00000
      3       4.2140      2.00000
      4       4.2140      2.00000
      5       7.1365      0.00000
      6       9.5495      0.00000
      7      10.3619      0.00000
      8      10.3619      0.00000

 k-point    28 :      -0.0000    0.2015    0.2015
  band No.  band energies     occupation 
      1      -5.5047      2.00000
      2       2.9574      2.00000
      3       4.1509      2.00000
      4       4.1509      2.00000
      5       7.0844      0.00000
      6       9.4525      0.00000
      7      10.4851      0.00000
      8      10.4851      0.00000

 k-point    29 :      -0.0000    0.2090    0.2090
  band No.  band energies     occupation 
      1      -5.4529      2.00000
      2       2.8261      2.00000
      3       4.0889      2.00000
      4       4.0889      2.00000
      5       7.0330      0.00000
      6       9.3506      0.00000
      7      10.6094      0.00000
      8      10.6094      0.00000

 k-point    30 :      -0.0000    0.2164    0.2164
  band No.  band energies     occupation 
      1      -5.3992      2.00000
      2       2.6945      2.00000
      3       4.0280      2.00000
      4       4.0280      2.00000
      5       6.9826      0.00000
      6       9.2452      0.00000
      7      10.7346      0.00000
      8      10.7346      0.00000

 k-point    31 :      -0.0000    0.2239    0.2239
  band No.  band energies     occupation 
      1      -5.3437      2.00000
      2       2.5626      2.00000
      3       3.9683      2.00000
      4       3.9683      2.00000
      5       6.9333      0.00000
      6       9.1376      0.00000
      7      10.8611      0.00000
      8      10.8611      0.00000

 k-point    32 :      -0.0000    0.2313    0.2313
  band No.  band energies     occupation 
      1      -5.2864      2.00000
      2       2.4306      2.00000
      3       3.9098      2.00000
      4       3.9098      2.00000
      5       6.8851      0.00000
      6       9.0286      0.00000
      7      10.9882      0.00000
      8      10.9882      0.00000

 k-point    33 :      -0.0000    0.2388    0.2388
  band No.  band energies     occupation 
      1      -5.2273      2.00000
      2       2.2984      2.00000
      3       3.8526      2.00000
      4       3.8526      2.00000
      5       6.8381      0.00000
      6       8.9190      0.00000
      7      11.1161      0.00000
      8      11.1161      0.00000

 k-point    34 :      -0.0000    0.2463    0.2463
  band No.  band energies     occupation 
      1      -5.1664      2.00000
      2       2.1660      2.00000
      3       3.7966      2.00000
      4       3.7966      2.00000
      5       6.7924      0.00000
      6       8.8094      0.00000
      7      11.2448      0.00000
      8      11.2448      0.00000

 k-point    35 :      -0.0000    0.2537    0.2537
  band No.  band energies     occupation 
      1      -5.1038      2.00000
      2       2.0337      2.00000
      3       3.7420      2.00000
      4       3.7420      2.00000
      5       6.7480      0.00000
      6       8.7004      0.00000
      7      11.3742      0.00000
      8      11.3742      0.00000

 k-point    36 :      -0.0000    0.2612    0.2612
  band No.  band energies     occupation 
      1      -5.0394      2.00000
      2       1.9013      2.00000
      3       3.6888      2.00000
      4       3.6888      2.00000
      5       6.7052      0.00000
      6       8.5922      0.00000
      7      11.5043      0.00000
      8      11.5043      0.00000

 k-point    37 :      -0.0000    0.2687    0.2687
  band No.  band energies     occupation 
      1      -4.9732      2.00000
      2       1.7689      2.00000
      3       3.6370      2.00000
      4       3.6370      2.00000
      5       6.6638      0.00000
      6       8.4853      0.00000
      7      11.6351      0.00000
      8      11.6351      0.00000

 k-point    38 :      -0.0000    0.2761    0.2761
  band No.  band energies     occupation 
      1      -4.9053      2.00000
      2       1.6366      2.00000
      3       3.5866      2.00000
      4       3.5866      2.00000
      5       6.6240      0.00000
      6       8.3799      0.00000
      7      11.7666      0.00000
      8      11.7666      0.00000

 k-point    39 :      -0.0000    0.2836    0.2836
  band No.  band energies     occupation 
      1      -4.8356      2.00000
      2       1.5043      2.00000
      3       3.5377      2.00000
      4       3.5377      2.00000
      5       6.5858      0.00000
      6       8.2762      0.00000
      7      11.8986      0.00000
      8      11.8987      0.00000

 k-point    40 :      -0.0000    0.2910    0.2910
  band No.  band energies     occupation 
      1      -4.7643      2.00000
      2       1.3722      2.00000
      3       3.4903      2.00000
      4       3.4903      2.00000
      5       6.5493      0.00000
      6       8.1744      0.00000
      7      12.0312      0.00000
      8      12.0312      0.00000

 k-point    41 :      -0.0000    0.2985    0.2985
  band No.  band energies     occupation 
      1      -4.6912      2.00000
      2       1.2403      2.00000
      3       3.4444      2.00000
      4       3.4444      2.00000
      5       6.5146      0.00000
      6       8.0747      0.00000
      7      12.1644      0.00000
      8      12.1645      0.00000

 k-point    42 :      -0.0000    0.3060    0.3060
  band No.  band energies     occupation 
      1      -4.6164      2.00000
      2       1.1086      2.00000
      3       3.4001      2.00000
      4       3.4001      2.00000
      5       6.4816      0.00000
      6       7.9772      0.00000
      7      12.2981      0.00000
      8      12.2981      0.00000

 k-point    43 :      -0.0000    0.3134    0.3134
  band No.  band energies     occupation 
      1      -4.5399      2.00000
      2       0.9770      2.00000
      3       3.3572      2.00000
      4       3.3572      2.00000
      5       6.4505      0.00000
      6       7.8821      0.00000
      7      12.4324      0.00000
      8      12.4324      0.00000

 k-point    44 :      -0.0000    0.3209    0.3209
  band No.  band energies     occupation 
      1      -4.4618      2.00000
      2       0.8458      2.00000
      3       3.3160      2.00000
      4       3.3160      2.00000
      5       6.4212      0.00000
      6       7.7893      0.00000
      7      12.5672      0.00000
      8      12.5672      0.00000

 k-point    45 :      -0.0000    0.3284    0.3284
  band No.  band energies     occupation 
      1      -4.3820      2.00000
      2       0.7149      2.00000
      3       3.2763      2.00000
      4       3.2763      2.00000
      5       6.3938      0.00000
      6       7.6989      0.00000
      7      12.7024      0.00000
      8      12.7024      0.00000

 k-point    46 :      -0.0000    0.3358    0.3358
  band No.  band energies     occupation 
      1      -4.3005      2.00000
      2       0.5843      2.00000
      3       3.2382      2.00000
      4       3.2382      2.00000
      5       6.3683      0.00000
      6       7.6110      0.00000
      7      12.8381      0.00000
      8      12.8381      0.00000

 k-point    47 :      -0.0000    0.3433    0.3433
  band No.  band energies     occupation 
      1      -4.2175      2.00000
      2       0.4541      2.00000
      3       3.2017      2.00000
      4       3.2017      2.00000
      5       6.3449      0.00000
      6       7.5259      0.00000
      7      12.9742      0.00000
      8      12.9742      0.00000

 k-point    48 :      -0.0000    0.3507    0.3507
  band No.  band energies     occupation 
      1      -4.1328      2.00000
      2       0.3243      2.00000
      3       3.1669      2.00000
      4       3.1669      2.00000
      5       6.3236      0.00000
      6       7.4436      0.00000
      7      13.1109      0.00000
      8      13.1109      0.00000

 k-point    49 :      -0.0000    0.3582    0.3582
  band No.  band energies     occupation 
      1      -4.0465      2.00000
      2       0.1949      2.00000
      3       3.1337      2.00000
      4       3.1337      2.00000
      5       6.3043      0.00000
      6       7.3638      0.00000
      7      13.2478      0.00000
      8      13.2479      0.00000

 k-point    50 :      -0.0000    0.3657    0.3657
  band No.  band energies     occupation 
      1      -3.9586      2.00000
      2       0.0660      2.00000
      3       3.1021      2.00000
      4       3.1021      2.00000
      5       6.2871      0.00000
      6       7.2868      0.00000
      7      13.3852      0.00000
      8      13.3852      0.00000

 k-point    51 :      -0.0000    0.3731    0.3731
  band No.  band energies     occupation 
      1      -3.8692      2.00000
      2      -0.0623      2.00000
      3       3.0722      2.00000
      4       3.0722      2.00000
      5       6.2721      0.00000
      6       7.2125      0.00000
      7      13.5230      0.00000
      8      13.5230      0.00000

 k-point    52 :      -0.0000    0.3806    0.3806
  band No.  band energies     occupation 
      1      -3.7782      2.00000
      2      -0.1901      2.00000
      3       3.0439      2.00000
      4       3.0439      2.00000
      5       6.2592      0.00000
      6       7.1408      0.00000
      7      13.6609      0.00000
      8      13.6609      0.00000

 k-point    53 :      -0.0000    0.3881    0.3881
  band No.  band energies     occupation 
      1      -3.6857      2.00000
      2      -0.3173      2.00000
      3       3.0173      2.00000
      4       3.0173      2.00000
      5       6.2485      0.00000
      6       7.0720      0.00000
      7      13.7992      0.00000
      8      13.7992      0.00000

 k-point    54 :      -0.0000    0.3955    0.3955
  band No.  band energies     occupation 
      1      -3.5917      2.00000
      2      -0.4438      2.00000
      3       2.9925      2.00000
      4       2.9925      2.00000
      5       6.2400      0.00000
      6       7.0060      0.00000
      7      13.9376      0.00000
      8      13.9376      0.00000

 k-point    55 :      -0.0000    0.4030    0.4030
  band No.  band energies     occupation 
      1      -3.4961      2.00000
      2      -0.5697      2.00000
      3       2.9692      2.00000
      4       2.9692      2.00000
      5       6.2338      0.00000
      6       6.9428      0.00000
      7      14.0760      0.00000
      8      14.0760      0.00000

 k-point    56 :      -0.0000    0.4104    0.4104
  band No.  band energies     occupation 
      1      -3.3991      2.00000
      2      -0.6948      2.00000
      3       2.9477      2.00000
      4       2.9477      2.00000
      5       6.2298      0.00000
      6       6.8823      0.00000
      7      14.2144      0.00000
      8      14.2144      0.00000

 k-point    57 :      -0.0000    0.4179    0.4179
  band No.  band energies     occupation 
      1      -3.3007      2.00000
      2      -0.8193      2.00000
      3       2.9279      2.00000
      4       2.9279      2.00000
      5       6.2282      0.00000
      6       6.8246      0.00000
      7      14.3526      0.00000
      8      14.3526      0.00000

 k-point    58 :      -0.0000    0.4254    0.4254
  band No.  band energies     occupation 
      1      -3.2008      2.00000
      2      -0.9429      2.00000
      3       2.9098      2.00000
      4       2.9098      2.00000
      5       6.2289      0.00000
      6       6.7697      0.00000
      7      14.4904      0.00000
      8      14.4904      0.00000

 k-point    59 :      -0.0000    0.4328    0.4328
  band No.  band energies     occupation 
      1      -3.0995      2.00000
      2      -1.0657      2.00000
      3       2.8934      2.00000
      4       2.8934      2.00000
      5       6.2320      0.00000
      6       6.7175      0.00000
      7      14.6274      0.00000
      8      14.6275      0.00000

 k-point    60 :      -0.0000    0.4403    0.4403
  band No.  band energies     occupation 
      1      -2.9969      2.00000
      2      -1.1877      2.00000
      3       2.8788      2.00000
      4       2.8788      2.00000
      5       6.2374      0.00000
      6       6.6681      0.00000
      7      14.7632      0.00000
      8      14.7632      0.00000

 k-point    61 :      -0.0000    0.4478    0.4478
  band No.  band energies     occupation 
      1      -2.8929      2.00000
      2      -1.3088      2.00000
      3       2.8658      2.00000
      4       2.8658      2.00000
      5       6.2453      0.00000
      6       6.6214      0.00000
      7      14.8973      0.00000
      8      14.8973      0.00000

 k-point    62 :      -0.0000    0.4552    0.4552
  band No.  band energies     occupation 
      1      -2.7875      2.00000
      2      -1.4290      2.00000
      3       2.8546      2.00000
      4       2.8546      2.00000
      5       6.2556      0.00000
      6       6.5774      0.00000
      7      15.0283      0.00000
      8      15.0283      0.00000

 k-point    63 :      -0.0000    0.4627    0.4627
  band No.  band energies     occupation 
      1      -2.6809      2.00000
      2      -1.5482      2.00000
      3       2.8450      2.00000
      4       2.8450      2.00000
      5       6.2683      0.00000
      6       6.5361      0.00000
      7      15.1548      0.00000
      8      15.1548      0.00000

 k-point    64 :      -0.0000    0.4701    0.4701
  band No.  band energies     occupation 
      1      -2.5729      2.00000
      2      -1.6664      2.00000
      3       2.8373      2.00000
      4       2.8373      2.00000
      5       6.2836      0.00000
      6       6.4976      0.00000
      7      15.2743      0.00000
      8      15.2744      0.00000

 k-point    65 :      -0.0000    0.4776    0.4776
  band No.  band energies     occupation 
      1      -2.4637      2.00000
      2      -1.7836      2.00000
      3       2.8312      2.00000
      4       2.8312      2.00000
      5       6.3013      0.00000
      6       6.4617      0.00000
      7      15.3826      0.00000
      8      15.3833      0.00000

 k-point    66 :      -0.0000    0.4851    0.4851
  band No.  band energies     occupation 
      1      -2.3533      2.00000
      2      -1.8998      2.00000
      3       2.8269      2.00000
      4       2.8269      2.00000
      5       6.3216      0.00000
      6       6.4284      0.00000
      7      15.4728      0.00000
      8      15.4730      0.00000

 k-point    67 :      -0.0000    0.4925    0.4925
  band No.  band energies     occupation 
      1      -2.2416      2.00000
      2      -2.0149      2.00000
      3       2.8243      2.00000
      4       2.8243      2.00000
      5       6.3444      0.00000
      6       6.3978      0.00000
      7      15.5349      0.00000
      8      15.5362      0.00000

 k-point    68 :      -0.0000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -2.1288      2.00000
      2      -2.1288      2.00000
      3       2.8234      2.00000
      4       2.8234      2.00000
      5       6.3698      0.00000
      6       6.3698      0.00000
      7      15.5571      0.00000
      8      15.5595      0.00000

 k-point    69 :       0.0109    0.5054    0.5054
  band No.  band energies     occupation 
      1      -2.1293      2.00000
      2      -2.1277      2.00000
      3       2.8165      2.00000
      4       2.8242      2.00000
      5       6.3707      0.00000
      6       6.3801      0.00000
      7      15.5464      0.00000
      8      15.5511      0.00000

 k-point    70 :       0.0217    0.5109    0.5109
  band No.  band energies     occupation 
      1      -2.1306      2.00000
      2      -2.1244      2.00000
      3       2.7960      2.00000
      4       2.8267      2.00000
      5       6.3736      0.00000
      6       6.4108      0.00000
      7      15.5134      0.00000
      8      15.5326      0.00000

 k-point    71 :       0.0326    0.5163    0.5163
  band No.  band energies     occupation 
      1      -2.1329      2.00000
      2      -2.1189      2.00000
      3       2.7627      2.00000
      4       2.8307      2.00000
      5       6.3782      0.00000
      6       6.4612      0.00000
      7      15.4606      0.00000
      8      15.5028      0.00000

 k-point    72 :       0.0435    0.5217    0.5217
  band No.  band energies     occupation 
      1      -2.1361      2.00000
      2      -2.1111      2.00000
      3       2.7178      2.00000
      4       2.8364      2.00000
      5       6.3848      0.00000
      6       6.5300      0.00000
      7      15.3908      0.00000
      8      15.4611      0.00000

 k-point    73 :       0.0543    0.5272    0.5272
  band No.  band energies     occupation 
      1      -2.1404      2.00000
      2      -2.1012      2.00000
      3       2.6628      2.00000
      4       2.8437      2.00000
      5       6.3932      0.00000
      6       6.6158      0.00000
      7      15.3058      0.00000
      8      15.4107      0.00000

 k-point    74 :       0.0652    0.5326    0.5326
  band No.  band energies     occupation 
      1      -2.1458      2.00000
      2      -2.0891      2.00000
      3       2.5993      2.00000
      4       2.8527      2.00000
      5       6.4035      0.00000
      6       6.7173      0.00000
      7      15.2099      0.00000
      8      15.3807      0.00000

 k-point    75 :       0.0761    0.5380    0.5380
  band No.  band energies     occupation 
      1      -2.1524      2.00000
      2      -2.0747      2.00000
      3       2.5290      2.00000
      4       2.8632      2.00000
      5       6.4156      0.00000
      6       6.8326      0.00000
      7      15.1023      0.00000
      8      15.2834      0.00000

 k-point    76 :       0.0870    0.5435    0.5435
  band No.  band energies     occupation 
      1      -2.1603      2.00000
      2      -2.0582      2.00000
      3       2.4535      2.00000
      4       2.8754      2.00000
      5       6.4296      0.00000
      6       6.9603      0.00000
      7      14.9872      0.00000
      8      15.2076      0.00000

 k-point    77 :       0.0978    0.5489    0.5489
  band No.  band energies     occupation 
      1      -2.1697      2.00000
      2      -2.0394      2.00000
      3       2.3741      2.00000
      4       2.8891      2.00000
      5       6.4454      0.00000
      6       7.0991      0.00000
      7      14.8671      0.00000
      8      15.1295      0.00000

 k-point    78 :       0.1087    0.5543    0.5543
  band No.  band energies     occupation 
      1      -2.1806      2.00000
      2      -2.0185      2.00000
      3       2.2924      2.00000
      4       2.9044      2.00000
      5       6.4631      0.00000
      6       7.2477      0.00000
      7      14.7418      0.00000
      8      15.0438      0.00000

 k-point    79 :       0.1196    0.5598    0.5598
  band No.  band energies     occupation 
      1      -2.1934      2.00000
      2      -1.9953      2.00000
      3       2.2095      2.00000
      4       2.9213      2.00000
      5       6.4826      0.00000
      6       7.4051      0.00000
      7      14.6131      0.00000
      8      14.9664      0.00000

 k-point    80 :       0.1304    0.5652    0.5652
  band No.  band energies     occupation 
      1      -2.2080      2.00000
      2      -1.9699      2.00000
      3       2.1265      2.00000
      4       2.9398      2.00000
      5       6.5039      0.00000
      6       7.5703      0.00000
      7      14.4836      0.00000
      8      14.8910      0.00000

 k-point    81 :       0.1413    0.5707    0.5707
  band No.  band energies     occupation 
      1      -2.2247      2.00000
      2      -1.9424      2.00000
      3       2.0444      2.00000
      4       2.9599      2.00000
      5       6.5270      0.00000
      6       7.7426      0.00000
      7      14.3490      0.00000
      8      14.7584      0.00000

 k-point    82 :       0.1522    0.5761    0.5761
  band No.  band energies     occupation 
      1      -2.2437      2.00000
      2      -1.9126      2.00000
      3       1.9640      2.00000
      4       2.9814      2.00000
      5       6.5519      0.00000
      6       7.9211      0.00000
      7      14.2158      0.00000
      8      14.6605      0.00000

 k-point    83 :       0.1630    0.5815    0.5815
  band No.  band energies     occupation 
      1      -2.2652      2.00000
      2      -1.8807      2.00000
      3       1.8861      2.00000
      4       3.0045      2.00000
      5       6.5785      0.00000
      6       8.1053      0.00000
      7      14.0802      0.00000
      8      14.5610      0.00000

 k-point    84 :       0.1739    0.5870    0.5870
  band No.  band energies     occupation 
      1      -2.2893      2.00000
      2      -1.8465      2.00000
      3       1.8113      2.00000
      4       3.0291      2.00000
      5       6.6069      0.00000
      6       8.2947      0.00000
      7      13.9430      0.00000
      8      14.4614      0.00000

 k-point    85 :       0.1848    0.5924    0.5924
  band No.  band energies     occupation 
      1      -2.3162      2.00000
      2      -1.8102      2.00000
      3       1.7403      2.00000
      4       3.0552      2.00000
      5       6.6370      0.00000
      6       8.4888      0.00000
      7      13.8073      0.00000
      8      14.3462      0.00000

 k-point    86 :       0.1957    0.5978    0.5978
  band No.  band energies     occupation 
      1      -2.3461      2.00000
      2      -1.7717      2.00000
      3       1.6735      2.00000
      4       3.0828      2.00000
      5       6.6687      0.00000
      6       8.6871      0.00000
      7      13.6714      0.00000
      8      14.2404      0.00000

 k-point    87 :       0.2065    0.6033    0.6033
  band No.  band energies     occupation 
      1      -2.3790      2.00000
      2      -1.7310      2.00000
      3       1.6114      2.00000
      4       3.1118      2.00000
      5       6.7023      0.00000
      6       8.8894      0.00000
      7      13.5358      0.00000
      8      14.1124      0.00000

 k-point    88 :       0.2174    0.6087    0.6087
  band No.  band energies     occupation 
      1      -2.4152      2.00000
      2      -1.6881      2.00000
      3       1.5544      2.00000
      4       3.1423      2.00000
      5       6.7374      0.00000
      6       9.0953      0.00000
      7      13.4017      0.00000
      8      13.9894      0.00000

 k-point    89 :       0.2283    0.6141    0.6141
  band No.  band energies     occupation 
      1      -2.4547      2.00000
      2      -1.6430      2.00000
      3       1.5028      2.00000
      4       3.1741      2.00000
      5       6.7742      0.00000
      6       9.3044      0.00000
      7      13.2667      0.00000
      8      13.8185      0.00000

 k-point    90 :       0.2391    0.6196    0.6196
  band No.  band energies     occupation 
      1      -2.4975      2.00000
      2      -1.5958      2.00000
      3       1.4568      2.00000
      4       3.2074      2.00000
      5       6.8126      0.00000
      6       9.5165      0.00000
      7      13.1333      0.00000
      8      13.6798      0.00000

 k-point    91 :       0.2500    0.6250    0.6250
  band No.  band energies     occupation 
      1      -2.5436      2.00000
      2      -1.5464      2.00000
      3       1.4167      2.00000
      4       3.2420      2.00000
      5       6.8525      0.00000
      6       9.7312      0.00000
      7      13.0010      0.00000
      8      13.5545      0.00000

 k-point    92 :       0.3750    0.7500    0.3750
  band No.  band energies     occupation 
      1      -2.5436      2.00000
      2      -1.5464      2.00000
      3       1.4167      2.00000
      4       3.2420      2.00000
      5       6.8525      0.00000
      6       9.7312      0.00000
      7      13.0012      0.00000
      8      13.5638      0.00000

 k-point    93 :       0.3698    0.7396    0.3698
  band No.  band energies     occupation 
      1      -2.5910      2.00000
      2      -1.4970      2.00000
      3       1.3838      2.00000
      4       3.2764      2.00000
      5       6.8922      0.00000
      6       9.9391      0.00000
      7      12.8752      0.00000
      8      13.4128      0.00000

 k-point    94 :       0.3646    0.7292    0.3646
  band No.  band energies     occupation 
      1      -2.6414      2.00000
      2      -1.4456      2.00000
      3       1.3564      2.00000
      4       3.3120      2.00000
      5       6.9333      0.00000
      6      10.1489      0.00000
      7      12.7503      0.00000
      8      13.2769      0.00000

 k-point    95 :       0.3594    0.7188    0.3594
  band No.  band energies     occupation 
      1      -2.6947      2.00000
      2      -1.3922      2.00000
      3       1.3346      2.00000
      4       3.3488      2.00000
      5       6.9757      0.00000
      6      10.3598      0.00000
      7      12.6267      0.00000
      8      13.1504      0.00000

 k-point    96 :       0.3542    0.7083    0.3542
  band No.  band energies     occupation 
      1      -2.7509      2.00000
      2      -1.3369      2.00000
      3       1.3183      2.00000
      4       3.3866      2.00000
      5       7.0195      0.00000
      6      10.5714      0.00000
      7      12.5042      0.00000
      8      13.0273      0.00000

 k-point    97 :       0.3490    0.6979    0.3490
  band No.  band energies     occupation 
      1      -2.8097      2.00000
      2      -1.2796      2.00000
      3       1.3074      2.00000
      4       3.4256      2.00000
      5       7.0644      0.00000
      6      10.7829      0.00000
      7      12.3830      0.00000
      8      12.9082      0.00000

 k-point    98 :       0.3437    0.6875    0.3437
  band No.  band energies     occupation 
      1      -2.8711      2.00000
      2      -1.2203      2.00000
      3       1.3020      2.00000
      4       3.4657      2.00000
      5       7.1105      0.00000
      6      10.9929      0.00000
      7      12.2632      0.00000
      8      12.7935      0.00000

 k-point    99 :       0.3385    0.6771    0.3385
  band No.  band energies     occupation 
      1      -2.9348      2.00000
      2      -1.1590      2.00000
      3       1.3018      2.00000
      4       3.5068      2.00000
      5       7.1578      0.00000
      6      11.1990      0.00000
      7      12.1446      0.00000
      8      12.6865      0.00000

 k-point   100 :       0.3333    0.6667    0.3333
  band No.  band energies     occupation 
      1      -3.0007      2.00000
      2      -1.0958      2.00000
      3       1.3067      2.00000
      4       3.5488      2.00000
      5       7.2064      0.00000
      6      11.3967      0.00000
      7      12.0276      0.00000
      8      12.5910      0.00000

 k-point   101 :       0.3281    0.6563    0.3281
  band No.  band energies     occupation 
      1      -3.0686      2.00000
      2      -1.0306      2.00000
      3       1.3166      2.00000
      4       3.5918      2.00000
      5       7.2558      0.00000
      6      11.5762      0.00000
      7      11.9119      0.00000
      8      12.5170      0.00000

 k-point   102 :       0.3229    0.6458    0.3229
  band No.  band energies     occupation 
      1      -3.1382      2.00000
      2      -0.9635      2.00000
      3       1.3313      2.00000
      4       3.6358      2.00000
      5       7.3061      0.00000
      6      11.7178      0.00000
      7      11.7977      0.00000
      8      12.4838      0.00000

 k-point   103 :       0.3177    0.6354    0.3177
  band No.  band energies     occupation 
      1      -3.2095      2.00000
      2      -0.8944      2.00000
      3       1.3507      2.00000
      4       3.6806      2.00000
      5       7.3574      0.00000
      6      11.6851      0.00000
      7      11.7920      0.00000
      8      12.5206      0.00000

 k-point   104 :       0.3125    0.6250    0.3125
  band No.  band energies     occupation 
      1      -3.2820      2.00000
      2      -0.8234      2.00000
      3       1.3745      2.00000
      4       3.7261      2.00000
      5       7.4094      0.00000
      6      11.5739      0.00000
      7      11.7900      0.00000
      8      12.5525      0.00000

 k-point   105 :       0.3073    0.6146    0.3073
  band No.  band energies     occupation 
      1      -3.3558      2.00000
      2      -0.7504      2.00000
      3       1.4026      2.00000
      4       3.7725      2.00000
      5       7.4622      0.00000
      6      11.4644      0.00000
      7      11.7373      0.00000
      8      12.4654      0.00000

 k-point   106 :       0.3021    0.6042    0.3021
  band No.  band energies     occupation 
      1      -3.4305      2.00000
      2      -0.6755      2.00000
      3       1.4348      2.00000
      4       3.8196      2.00000
      5       7.5156      0.00000
      6      11.3564      0.00000
      7      11.6595      0.00000
      8      12.3805      0.00000

 k-point   107 :       0.2969    0.5938    0.2969
  band No.  band energies     occupation 
      1      -3.5060      2.00000
      2      -0.5986      2.00000
      3       1.4710      2.00000
      4       3.8673      2.00000
      5       7.5696      0.00000
      6      11.2500      0.00000
      7      11.5700      0.00000
      8      12.2974      0.00000

 k-point   108 :       0.2917    0.5833    0.2917
  band No.  band energies     occupation 
      1      -3.5821      2.00000
      2      -0.5199      2.00000
      3       1.5109      2.00000
      4       3.9156      2.00000
      5       7.6239      0.00000
      6      11.1453      0.00000
      7      11.4750      0.00000
      8      12.2167      0.00000

 k-point   109 :       0.2865    0.5729    0.2865
  band No.  band energies     occupation 
      1      -3.6586      2.00000
      2      -0.4392      2.00000
      3       1.5545      2.00000
      4       3.9645      2.00000
      5       7.6785      0.00000
      6      11.0422      0.00000
      7      11.3776      0.00000
      8      12.1381      0.00000

 k-point   110 :       0.2812    0.5625    0.2812
  band No.  band energies     occupation 
      1      -3.7354      2.00000
      2      -0.3566      2.00000
      3       1.6015      2.00000
      4       4.0138      2.00000
      5       7.7333      0.00000
      6      10.9407      0.00000
      7      11.2792      0.00000
      8      12.0623      0.00000

 k-point   111 :       0.2760    0.5521    0.2760
  band No.  band energies     occupation 
      1      -3.8123      2.00000
      2      -0.2722      2.00000
      3       1.6518      2.00000
      4       4.0635      2.00000
      5       7.7882      0.00000
      6      10.8410      0.00000
      7      11.1809      0.00000
      8      11.9882      0.00000

 k-point   112 :       0.2708    0.5417    0.2708
  band No.  band energies     occupation 
      1      -3.8891      2.00000
      2      -0.1858      2.00000
      3       1.7053      2.00000
      4       4.1135      2.00000
      5       7.8428      0.00000
      6      10.7429      0.00000
      7      11.0830      0.00000
      8      11.9171      0.00000

 k-point   113 :       0.2656    0.5313    0.2656
  band No.  band energies     occupation 
      1      -3.9658      2.00000
      2      -0.0975      2.00000
      3       1.7618      2.00000
      4       4.1638      2.00000
      5       7.8972      0.00000
      6      10.6466      0.00000
      7      10.9861      0.00000
      8      11.8488      0.00000

 k-point   114 :       0.2604    0.5208    0.2604
  band No.  band energies     occupation 
      1      -4.0422      2.00000
      2      -0.0074      2.00000
      3       1.8212      2.00000
      4       4.2144      2.00000
      5       7.9511      0.00000
      6      10.5520      0.00000
      7      10.8903      0.00000
      8      11.7847      0.00000

 k-point   115 :       0.2552    0.5104    0.2552
  band No.  band energies     occupation 
      1      -4.1181      2.00000
      2       0.0846      2.00000
      3       1.8834      2.00000
      4       4.2650      2.00000
      5       8.0043      0.00000
      6      10.4592      0.00000
      7      10.7958      0.00000
      8      11.7208      0.00000

 k-point   116 :       0.2500    0.5000    0.2500
  band No.  band energies     occupation 
      1      -4.1936      2.00000
      2       0.1784      2.00000
      3       1.9482      2.00000
      4       4.3156      2.00000
      5       8.0567      0.00000
      6      10.3681      0.00000
      7      10.7027      0.00000
      8      11.6613      0.00000

 k-point   117 :       0.2448    0.4896    0.2448
  band No.  band energies     occupation 
      1      -4.2684      2.00000
      2       0.2741      2.00000
      3       2.0156      2.00000
      4       4.3662      2.00000
      5       8.1080      0.00000
      6      10.2788      0.00000
      7      10.6111      0.00000
      8      11.6053      0.00000

 k-point   118 :       0.2396    0.4792    0.2396
  band No.  band energies     occupation 
      1      -4.3425      2.00000
      2       0.3716      2.00000
      3       2.0853      2.00000
      4       4.4167      2.00000
      5       8.1580      0.00000
      6      10.1913      0.00000
      7      10.5209      0.00000
      8      11.5526      0.00000

 k-point   119 :       0.2344    0.4688    0.2344
  band No.  band energies     occupation 
      1      -4.4158      2.00000
      2       0.4709      2.00000
      3       2.1574      2.00000
      4       4.4670      2.00000
      5       8.2064      0.00000
      6      10.1055      0.00000
      7      10.4324      0.00000
      8      11.5037      0.00000

 k-point   120 :       0.2292    0.4583    0.2292
  band No.  band energies     occupation 
      1      -4.4882      2.00000
      2       0.5721      2.00000
      3       2.2317      2.00000
      4       4.5169      2.00000
      5       8.2530      0.00000
      6      10.0215      0.00000
      7      10.3454      0.00000
      8      11.4582      0.00000

 k-point   121 :       0.2240    0.4479    0.2240
  band No.  band energies     occupation 
      1      -4.5597      2.00000
      2       0.6750      2.00000
      3       2.3081      2.00000
      4       4.5665      2.00000
      5       8.2976      0.00000
      6       9.9393      0.00000
      7      10.2601      0.00000
      8      11.4168      0.00000

 k-point   122 :       0.2187    0.4375    0.2187
  band No.  band energies     occupation 
      1      -4.6301      2.00000
      2       0.7798      2.00000
      3       2.3866      2.00000
      4       4.6156      2.00000
      5       8.3399      0.00000
      6       9.8590      0.00000
      7      10.1764      0.00000
      8      11.3790      0.00000

 k-point   123 :       0.2135    0.4271    0.2135
  band No.  band energies     occupation 
      1      -4.6995      2.00000
      2       0.8863      2.00000
      3       2.4669      2.00000
      4       4.6641      2.00000
      5       8.3797      0.00000
      6       9.7804      0.00000
      7      10.0943      0.00000
      8      11.3459      0.00000

 k-point   124 :       0.2083    0.4167    0.2083
  band No.  band energies     occupation 
      1      -4.7677      2.00000
      2       0.9945      2.00000
      3       2.5491      2.00000
      4       4.7120      2.00000
      5       8.4168      0.00000
      6       9.7037      0.00000
      7      10.0139      0.00000
      8      11.3157      0.00000

 k-point   125 :       0.2031    0.4063    0.2031
  band No.  band energies     occupation 
      1      -4.8347      2.00000
      2       1.1045      2.00000
      3       2.6330      2.00000
      4       4.7591      2.00000
      5       8.4509      0.00000
      6       9.6288      0.00000
      7       9.9352      0.00000
      8      11.2900      0.00000

 k-point   126 :       0.1979    0.3958    0.1979
  band No.  band energies     occupation 
      1      -4.9004      2.00000
      2       1.2162      2.00000
      3       2.7186      2.00000
      4       4.8054      2.00000
      5       8.4821      0.00000
      6       9.5556      0.00000
      7       9.8581      0.00000
      8      11.2683      0.00000

 k-point   127 :       0.1927    0.3854    0.1927
  band No.  band energies     occupation 
      1      -4.9648      2.00000
      2       1.3296      2.00000
      3       2.8056      2.00000
      4       4.8508      2.00000
      5       8.5098      0.00000
      6       9.4844      0.00000
      7       9.7827      0.00000
      8      11.2504      0.00000

 k-point   128 :       0.1875    0.3750    0.1875
  band No.  band energies     occupation 
      1      -5.0279      2.00000
      2       1.4446      2.00000
      3       2.8941      2.00000
      4       4.8952      2.00000
      5       8.5343      0.00000
      6       9.4150      0.00000
      7       9.7089      0.00000
      8      11.2357      0.00000

 k-point   129 :       0.1823    0.3646    0.1823
  band No.  band energies     occupation 
      1      -5.0896      2.00000
      2       1.5613      2.00000
      3       2.9840      2.00000
      4       4.9385      2.00000
      5       8.5553      0.00000
      6       9.3475      0.00000
      7       9.6368      0.00000
      8      11.2242      0.00000

 k-point   130 :       0.1771    0.3542    0.1771
  band No.  band energies     occupation 
      1      -5.1498      2.00000
      2       1.6796      2.00000
      3       3.0751      2.00000
      4       4.9807      2.00000
      5       8.5728      0.00000
      6       9.2818      0.00000
      7       9.5663      0.00000
      8      11.2152      0.00000

 k-point   131 :       0.1719    0.3438    0.1719
  band No.  band energies     occupation 
      1      -5.2086      2.00000
      2       1.7995      2.00000
      3       3.1673      2.00000
      4       5.0217      2.00000
      5       8.5871      0.00000
      6       9.2180      0.00000
      7       9.4974      0.00000
      8      11.2082      0.00000

 k-point   132 :       0.1667    0.3333    0.1667
  band No.  band energies     occupation 
      1      -5.2660      2.00000
      2       1.9210      2.00000
      3       3.2606      2.00000
      4       5.0614      2.00000
      5       8.5980      0.00000
      6       9.1560      0.00000
      7       9.4302      0.00000
      8      11.2024      0.00000

 k-point   133 :       0.1615    0.3229    0.1615
  band No.  band energies     occupation 
      1      -5.3217      2.00000
      2       2.0440      2.00000
      3       3.3547      2.00000
      4       5.0998      2.00000
      5       8.6057      0.00000
      6       9.0959      0.00000
      7       9.3647      0.00000
      8      11.1969      0.00000

 k-point   134 :       0.1562    0.3125    0.1562
  band No.  band energies     occupation 
      1      -5.3760      2.00000
      2       2.1684      2.00000
      3       3.4497      2.00000
      4       5.1368      2.00000
      5       8.6105      0.00000
      6       9.0377      0.00000
      7       9.3007      0.00000
      8      11.1905      0.00000

 k-point   135 :       0.1510    0.3021    0.1510
  band No.  band energies     occupation 
      1      -5.4286      2.00000
      2       2.2944      2.00000
      3       3.5453      2.00000
      4       5.1725      2.00000
      5       8.6125      0.00000
      6       8.9814      0.00000
      7       9.2383      0.00000
      8      11.1819      0.00000

 k-point   136 :       0.1458    0.2917    0.1458
  band No.  band energies     occupation 
      1      -5.4797      2.00000
      2       2.4217      2.00000
      3       3.6415      2.00000
      4       5.2066      2.00000
      5       8.6118      0.00000
      6       8.9270      0.00000
      7       9.1775      0.00000
      8      11.1697      0.00000

 k-point   137 :       0.1406    0.2813    0.1406
  band No.  band energies     occupation 
      1      -5.5291      2.00000
      2       2.5503      2.00000
      3       3.7381      2.00000
      4       5.2393      2.00000
      5       8.6088      0.00000
      6       8.8744      0.00000
      7       9.1183      0.00000
      8      11.1521      0.00000

 k-point   138 :       0.1354    0.2708    0.1354
  band No.  band energies     occupation 
      1      -5.5769      2.00000
      2       2.6802      2.00000
      3       3.8349      2.00000
      4       5.2705      2.00000
      5       8.6038      0.00000
      6       8.8237      0.00000
      7       9.0606      0.00000
      8      11.1275      0.00000

 k-point   139 :       0.1302    0.2604    0.1302
  band No.  band energies     occupation 
      1      -5.6230      2.00000
      2       2.8113      2.00000
      3       3.9318      2.00000
      4       5.3002      2.00000
      5       8.5968      0.00000
      6       8.7749      0.00000
      7       9.0044      0.00000
      8      11.0941      0.00000

 k-point   140 :       0.1250    0.2500    0.1250
  band No.  band energies     occupation 
      1      -5.6674      2.00000
      2       2.9436      2.00000
      3       4.0287      2.00000
      4       5.3283      2.00000
      5       8.5882      0.00000
      6       8.7280      0.00000
      7       8.9498      0.00000
      8      11.0503      0.00000

 k-point   141 :       0.1198    0.2396    0.1198
  band No.  band energies     occupation 
      1      -5.7102      2.00000
      2       3.0769      2.00000
      3       4.1253      2.00000
      4       5.3550      2.00000
      5       8.5782      0.00000
      6       8.6831      0.00000
      7       8.8967      0.00000
      8      10.9948      0.00000

 k-point   142 :       0.1146    0.2292    0.1146
  band No.  band energies     occupation 
      1      -5.7512      2.00000
      2       3.2112      2.00000
      3       4.2215      2.00000
      4       5.3801      2.00000
      5       8.5670      0.00000
      6       8.6400      0.00000
      7       8.8451      0.00000
      8      10.9267      0.00000

 k-point   143 :       0.1094    0.2188    0.1094
  band No.  band energies     occupation 
      1      -5.7905      2.00000
      2       3.3464      2.00000
      3       4.3171      2.00000
      4       5.4038      2.00000
      5       8.5548      0.00000
      6       8.5988      0.00000
      7       8.7950      0.00000
      8      10.8458      0.00000

 k-point   144 :       0.1042    0.2083    0.1042
  band No.  band energies     occupation 
      1      -5.8280      2.00000
      2       3.4822      2.00000
      3       4.4118      2.00000
      4       5.4260      2.00000
      5       8.5417      0.00000
      6       8.5595      0.00000
      7       8.7463      0.00000
      8      10.7524      0.00000

 k-point   145 :       0.0990    0.1979    0.0990
  band No.  band energies     occupation 
      1      -5.8638      2.00000
      2       3.6186      2.00000
      3       4.5055      2.00000
      4       5.4468      2.00000
      5       8.5221      0.00000
      6       8.5280      0.00000
      7       8.6991      0.00000
      8      10.6477      0.00000

 k-point   146 :       0.0937    0.1875    0.0937
  band No.  band energies     occupation 
      1      -5.8978      2.00000
      2       3.7553      2.00000
      3       4.5977      2.00000
      4       5.4661      2.00000
      5       8.4866      0.00000
      6       8.5138      0.00000
      7       8.6535      0.00000
      8      10.5329      0.00000

 k-point   147 :       0.0885    0.1771    0.0885
  band No.  band energies     occupation 
      1      -5.9300      2.00000
      2       3.8923      2.00000
      3       4.6884      2.00000
      4       5.4841      2.00000
      5       8.4531      0.00000
      6       8.4991      0.00000
      7       8.6093      0.00000
      8      10.4098      0.00000

 k-point   148 :       0.0833    0.1667    0.0833
  band No.  band energies     occupation 
      1      -5.9604      2.00000
      2       4.0291      2.00000
      3       4.7771      2.00000
      4       5.5008      2.00000
      5       8.4214      0.00000
      6       8.4841      0.00000
      7       8.5667      0.00000
      8      10.2802      0.00000

 k-point   149 :       0.0781    0.1563    0.0781
  band No.  band energies     occupation 
      1      -5.9891      2.00000
      2       4.1656      2.00000
      3       4.8636      2.00000
      4       5.5161      2.00000
      5       8.3917      0.00000
      6       8.4687      0.00000
      7       8.5256      0.00000
      8      10.1459      0.00000

 k-point   150 :       0.0729    0.1458    0.0729
  band No.  band energies     occupation 
      1      -6.0159      2.00000
      2       4.3013      2.00000
      3       4.9476      2.00000
      4       5.5302      2.00000
      5       8.3638      0.00000
      6       8.4531      0.00000
      7       8.4862      0.00000
      8      10.0086      0.00000

 k-point   151 :       0.0677    0.1354    0.0677
  band No.  band energies     occupation 
      1      -6.0409      2.00000
      2       4.4359      2.00000
      3       5.0285      2.00000
      4       5.5431      2.00000
      5       8.3379      0.00000
      6       8.4370      0.00000
      7       8.4484      0.00000
      8       9.8701      0.00000

 k-point   152 :       0.0625    0.1250    0.0625
  band No.  band energies     occupation 
      1      -6.0641      2.00000
      2       4.5688      2.00000
      3       5.1062      2.00000
      4       5.5548      2.00000
      5       8.3139      0.00000
      6       8.4124      0.00000
      7       8.4205      0.00000
      8       9.7321      0.00000

 k-point   153 :       0.0573    0.1146    0.0573
  band No.  band energies     occupation 
      1      -6.0854      2.00000
      2       4.6994      2.00000
      3       5.1801      2.00000
      4       5.5654      2.00000
      5       8.2918      0.00000
      6       8.3783      0.00000
      7       8.4033      0.00000
      8       9.5963      0.00000

 k-point   154 :       0.0521    0.1042    0.0521
  band No.  band energies     occupation 
      1      -6.1049      2.00000
      2       4.8270      2.00000
      3       5.2498      2.00000
      4       5.5750      2.00000
      5       8.2716      0.00000
      6       8.3461      0.00000
      7       8.3852      0.00000
      8       9.4644      0.00000

 k-point   155 :       0.0469    0.0938    0.0469
  band No.  band energies     occupation 
      1      -6.1226      2.00000
      2       4.9506      2.00000
      3       5.3149      2.00000
      4       5.5835      2.00000
      5       8.2534      0.00000
      6       8.3161      0.00000
      7       8.3660      0.00000
      8       9.3383      0.00000

 k-point   156 :       0.0417    0.0833    0.0417
  band No.  band energies     occupation 
      1      -6.1384      2.00000
      2       5.0690      2.00000
      3       5.3749      2.00000
      4       5.5909      2.00000
      5       8.2371      0.00000
      6       8.2885      0.00000
      7       8.3451      0.00000
      8       9.2202      0.00000

 k-point   157 :       0.0365    0.0729    0.0365
  band No.  band energies     occupation 
      1      -6.1524      2.00000
      2       5.1810      2.00000
      3       5.4293      2.00000
      4       5.5975      2.00000
      5       8.2226      0.00000
      6       8.2634      0.00000
      7       8.3223      0.00000
      8       9.1120      0.00000

 k-point   158 :       0.0312    0.0625    0.0312
  band No.  band energies     occupation 
      1      -6.1645      2.00000
      2       5.2848      2.00000
      3       5.4777      2.00000
      4       5.6030      2.00000
      5       8.2101      0.00000
      6       8.2410      0.00000
      7       8.2973      0.00000
      8       9.0160      0.00000

 k-point   159 :       0.0260    0.0521    0.0260
  band No.  band energies     occupation 
      1      -6.1748      2.00000
      2       5.3786      2.00000
      3       5.5196      2.00000
      4       5.6077      2.00000
      5       8.1996      0.00000
      6       8.2216      0.00000
      7       8.2705      0.00000
      8       8.9342      0.00000

 k-point   160 :       0.0208    0.0417    0.0208
  band No.  band energies     occupation 
      1      -6.1832      2.00000
      2       5.4601      2.00000
      3       5.5545      2.00000
      4       5.6115      2.00000
      5       8.1909      0.00000
      6       8.2053      0.00000
      7       8.2431      0.00000
      8       8.8677      0.00000

 k-point   161 :       0.0156    0.0313    0.0156
  band No.  band energies     occupation 
      1      -6.1897      2.00000
      2       5.5270      2.00000
      3       5.5821      2.00000
      4       5.6144      2.00000
      5       8.1842      0.00000
      6       8.1924      0.00000
      7       8.2170      0.00000
      8       8.8170      0.00000

 k-point   162 :       0.0104    0.0208    0.0104
  band No.  band energies     occupation 
      1      -6.1944      2.00000
      2       5.5769      2.00000
      3       5.6020      2.00000
      4       5.6165      2.00000
      5       8.1794      0.00000
      6       8.1831      0.00000
      7       8.1952      0.00000
      8       8.7818      0.00000

 k-point   163 :       0.0052    0.0104    0.0052
  band No.  band energies     occupation 
      1      -6.1971      2.00000
      2       5.6077      2.00000
      3       5.6142      2.00000
      4       5.6178      2.00000
      5       8.1765      0.00000
      6       8.1774      0.00000
      7       8.1807      0.00000
      8       8.7612      0.00000

 k-point   164 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1981      2.00000
      2       5.6182      2.00000
      3       5.6182      2.00000
      4       5.6182      2.00000
      5       8.1755      0.00000
      6       8.1755      0.00000
      7       8.1755      0.00000
      8       8.7544      0.00000

 k-point   165 :       0.0086    0.0086    0.0086
  band No.  band energies     occupation 
      1      -6.1971      2.00000
      2       5.6062      2.00000
      3       5.6165      2.00000
      4       5.6165      2.00000
      5       8.1780      0.00000
      6       8.1780      0.00000
      7       8.1789      0.00000
      8       8.7614      0.00000

 k-point   166 :       0.0172    0.0172    0.0172
  band No.  band energies     occupation 
      1      -6.1942      2.00000
      2       5.5709      2.00000
      3       5.6116      2.00000
      4       5.6116      2.00000
      5       8.1853      0.00000
      6       8.1853      0.00000
      7       8.1877      0.00000
      8       8.7828      0.00000

 k-point   167 :       0.0259    0.0259    0.0259
  band No.  band energies     occupation 
      1      -6.1895      2.00000
      2       5.5137      2.00000
      3       5.6033      2.00000
      4       5.6033      2.00000
      5       8.1973      0.00000
      6       8.1973      0.00000
      7       8.1994      0.00000
      8       8.8198      0.00000

 k-point   168 :       0.0345    0.0345    0.0345
  band No.  band energies     occupation 
      1      -6.1828      2.00000
      2       5.4373      2.00000
      3       5.5920      2.00000
      4       5.5920      2.00000
      5       8.2105      0.00000
      6       8.2139      0.00000
      7       8.2139      0.00000
      8       8.8735      0.00000

 k-point   169 :       0.0431    0.0431    0.0431
  band No.  band energies     occupation 
      1      -6.1741      2.00000
      2       5.3442      2.00000
      3       5.5777      2.00000
      4       5.5777      2.00000
      5       8.2180      0.00000
      6       8.2349      0.00000
      7       8.2349      0.00000
      8       8.9443      0.00000

 k-point   170 :       0.0517    0.0517    0.0517
  band No.  band energies     occupation 
      1      -6.1636      2.00000
      2       5.2370      2.00000
      3       5.5606      2.00000
      4       5.5606      2.00000
      5       8.2204      0.00000
      6       8.2600      0.00000
      7       8.2600      0.00000
      8       9.0313      0.00000

 k-point   171 :       0.0603    0.0603    0.0603
  band No.  band energies     occupation 
      1      -6.1512      2.00000
      2       5.1183      2.00000
      3       5.5410      2.00000
      4       5.5410      2.00000
      5       8.2171      0.00000
      6       8.2889      0.00000
      7       8.2889      0.00000
      8       9.1327      0.00000

 k-point   172 :       0.0690    0.0690    0.0690
  band No.  band energies     occupation 
      1      -6.1368      2.00000
      2       4.9902      2.00000
      3       5.5190      2.00000
      4       5.5190      2.00000
      5       8.2083      0.00000
      6       8.3214      0.00000
      7       8.3214      0.00000
      8       9.2463      0.00000

 k-point   173 :       0.0776    0.0776    0.0776
  band No.  band energies     occupation 
      1      -6.1206      2.00000
      2       4.8545      2.00000
      3       5.4949      2.00000
      4       5.4949      2.00000
      5       8.1948      0.00000
      6       8.3570      0.00000
      7       8.3570      0.00000
      8       9.3698      0.00000

 k-point   174 :       0.0862    0.0862    0.0862
  band No.  band energies     occupation 
      1      -6.1024      2.00000
      2       4.7127      2.00000
      3       5.4690      2.00000
      4       5.4690      2.00000
      5       8.1771      0.00000
      6       8.3953      0.00000
      7       8.3953      0.00000
      8       9.5013      0.00000

 k-point   175 :       0.0948    0.0948    0.0948
  band No.  band energies     occupation 
      1      -6.0824      2.00000
      2       4.5660      2.00000
      3       5.4415      2.00000
      4       5.4415      2.00000
      5       8.1560      0.00000
      6       8.4360      0.00000
      7       8.4360      0.00000
      8       9.6390      0.00000

 k-point   176 :       0.1034    0.1034    0.1034
  band No.  band energies     occupation 
      1      -6.0605      2.00000
      2       4.4155      2.00000
      3       5.4126      2.00000
      4       5.4126      2.00000
      5       8.1320      0.00000
      6       8.4786      0.00000
      7       8.4786      0.00000
      8       9.7816      0.00000

 k-point   177 :       0.1121    0.1121    0.1121
  band No.  band energies     occupation 
      1      -6.0367      2.00000
      2       4.2619      2.00000
      3       5.3825      2.00000
      4       5.3825      2.00000
      5       8.1056      0.00000
      6       8.5229      0.00000
      7       8.5229      0.00000
      8       9.9280      0.00000

 k-point   178 :       0.1207    0.1207    0.1207
  band No.  band energies     occupation 
      1      -6.0111      2.00000
      2       4.1060      2.00000
      3       5.3515      2.00000
      4       5.3515      2.00000
      5       8.0771      0.00000
      6       8.5682      0.00000
      7       8.5682      0.00000
      8      10.0773      0.00000

 k-point   179 :       0.1293    0.1293    0.1293
  band No.  band energies     occupation 
      1      -5.9836      2.00000
      2       3.9483      2.00000
      3       5.3197      2.00000
      4       5.3197      2.00000
      5       8.0472      0.00000
      6       8.6142      0.00000
      7       8.6142      0.00000
      8      10.2288      0.00000

 k-point   180 :       0.1379    0.1379    0.1379
  band No.  band energies     occupation 
      1      -5.9543      2.00000
      2       3.7893      2.00000
      3       5.2873      2.00000
      4       5.2873      2.00000
      5       8.0158      0.00000
      6       8.6605      0.00000
      7       8.6605      0.00000
      8      10.3819      0.00000

 k-point   181 :       0.1466    0.1466    0.1466
  band No.  band energies     occupation 
      1      -5.9231      2.00000
      2       3.6295      2.00000
      3       5.2546      2.00000
      4       5.2546      2.00000
      5       7.9834      0.00000
      6       8.7066      0.00000
      7       8.7066      0.00000
      8      10.5362      0.00000

 k-point   182 :       0.1552    0.1552    0.1552
  band No.  band energies     occupation 
      1      -5.8901      2.00000
      2       3.4691      2.00000
      3       5.2215      2.00000
      4       5.2215      2.00000
      5       7.9502      0.00000
      6       8.7521      0.00000
      7       8.7521      0.00000
      8      10.6913      0.00000

 k-point   183 :       0.1638    0.1638    0.1638
  band No.  band energies     occupation 
      1      -5.8554      2.00000
      2       3.3084      2.00000
      3       5.1884      2.00000
      4       5.1884      2.00000
      5       7.9163      0.00000
      6       8.7966      0.00000
      7       8.7966      0.00000
      8      10.8467      0.00000

 k-point   184 :       0.1724    0.1724    0.1724
  band No.  band energies     occupation 
      1      -5.8188      2.00000
      2       3.1477      2.00000
      3       5.1552      2.00000
      4       5.1552      2.00000
      5       7.8821      0.00000
      6       8.8397      0.00000
      7       8.8397      0.00000
      8      11.0023      0.00000

 k-point   185 :       0.1810    0.1810    0.1810
  band No.  band energies     occupation 
      1      -5.7805      2.00000
      2       2.9873      2.00000
      3       5.1222      2.00000
      4       5.1222      2.00000
      5       7.8477      0.00000
      6       8.8810      0.00000
      7       8.8810      0.00000
      8      11.1578      0.00000

 k-point   186 :       0.1897    0.1897    0.1897
  band No.  band energies     occupation 
      1      -5.7404      2.00000
      2       2.8272      2.00000
      3       5.0894      2.00000
      4       5.0894      2.00000
      5       7.8131      0.00000
      6       8.9200      0.00000
      7       8.9200      0.00000
      8      11.3130      0.00000

 k-point   187 :       0.1983    0.1983    0.1983
  band No.  band energies     occupation 
      1      -5.6986      2.00000
      2       2.6678      2.00000
      3       5.0569      2.00000
      4       5.0569      2.00000
      5       7.7786      0.00000
      6       8.9565      0.00000
      7       8.9565      0.00000
      8      11.4677      0.00000

 k-point   188 :       0.2069    0.2069    0.2069
  band No.  band energies     occupation 
      1      -5.6551      2.00000
      2       2.5091      2.00000
      3       5.0249      2.00000
      4       5.0249      2.00000
      5       7.7443      0.00000
      6       8.9901      0.00000
      7       8.9901      0.00000
      8      11.6217      0.00000

 k-point   189 :       0.2155    0.2155    0.2155
  band No.  band energies     occupation 
      1      -5.6099      2.00000
      2       2.3513      2.00000
      3       4.9933      2.00000
      4       4.9933      2.00000
      5       7.7103      0.00000
      6       9.0207      0.00000
      7       9.0207      0.00000
      8      11.7748      0.00000

 k-point   190 :       0.2241    0.2241    0.2241
  band No.  band energies     occupation 
      1      -5.5631      2.00000
      2       2.1945      2.00000
      3       4.9622      2.00000
      4       4.9622      2.00000
      5       7.6766      0.00000
      6       9.0479      0.00000
      7       9.0479      0.00000
      8      11.9266      0.00000

 k-point   191 :       0.2328    0.2328    0.2328
  band No.  band energies     occupation 
      1      -5.5146      2.00000
      2       2.0388      2.00000
      3       4.9318      2.00000
      4       4.9318      2.00000
      5       7.6434      0.00000
      6       9.0718      0.00000
      7       9.0718      0.00000
      8      12.0769      0.00000

 k-point   192 :       0.2414    0.2414    0.2414
  band No.  band energies     occupation 
      1      -5.4646      2.00000
      2       1.8845      2.00000
      3       4.9020      2.00000
      4       4.9020      2.00000
      5       7.6107      0.00000
      6       9.0921      0.00000
      7       9.0921      0.00000
      8      12.2255      0.00000

 k-point   193 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1      -5.4131      2.00000
      2       1.7315      2.00000
      3       4.8729      2.00000
      4       4.8729      2.00000
      5       7.5787      0.00000
      6       9.1090      0.00000
      7       9.1090      0.00000
      8      12.3715      0.00000

 k-point   194 :       0.2586    0.2586    0.2586
  band No.  band energies     occupation 
      1      -5.3600      2.00000
      2       1.5801      2.00000
      3       4.8446      2.00000
      4       4.8446      2.00000
      5       7.5473      0.00000
      6       9.1225      0.00000
      7       9.1225      0.00000
      8      12.5148      0.00000

 k-point   195 :       0.2672    0.2672    0.2672
  band No.  band energies     occupation 
      1      -5.3056      2.00000
      2       1.4302      2.00000
      3       4.8171      2.00000
      4       4.8171      2.00000
      5       7.5167      0.00000
      6       9.1326      0.00000
      7       9.1326      0.00000
      8      12.6548      0.00000

 k-point   196 :       0.2759    0.2759    0.2759
  band No.  band energies     occupation 
      1      -5.2497      2.00000
      2       1.2821      2.00000
      3       4.7904      2.00000
      4       4.7904      2.00000
      5       7.4869      0.00000
      6       9.1395      0.00000
      7       9.1395      0.00000
      8      12.7875      0.00000

 k-point   197 :       0.2845    0.2845    0.2845
  band No.  band energies     occupation 
      1      -5.1925      2.00000
      2       1.1358      2.00000
      3       4.7646      2.00000
      4       4.7646      2.00000
      5       7.4580      0.00000
      6       9.1435      0.00000
      7       9.1435      0.00000
      8      12.9218      0.00000

 k-point   198 :       0.2931    0.2931    0.2931
  band No.  band energies     occupation 
      1      -5.1341      2.00000
      2       0.9916      2.00000
      3       4.7396      2.00000
      4       4.7396      2.00000
      5       7.4299      0.00000
      6       9.1447      0.00000
      7       9.1447      0.00000
      8      13.0364      0.00000

 k-point   199 :       0.3017    0.3017    0.3017
  band No.  band energies     occupation 
      1      -5.0745      2.00000
      2       0.8494      2.00000
      3       4.7156      2.00000
      4       4.7156      2.00000
      5       7.4028      0.00000
      6       9.1434      0.00000
      7       9.1434      0.00000
      8      13.1459      0.00000

 k-point   200 :       0.3103    0.3103    0.3103
  band No.  band energies     occupation 
      1      -5.0139      2.00000
      2       0.7094      2.00000
      3       4.6925      2.00000
      4       4.6925      2.00000
      5       7.3766      0.00000
      6       9.1400      0.00000
      7       9.1400      0.00000
      8      13.2511      0.00000

 k-point   201 :       0.3190    0.3190    0.3190
  band No.  band energies     occupation 
      1      -4.9523      2.00000
      2       0.5718      2.00000
      3       4.6703      2.00000
      4       4.6703      2.00000
      5       7.3515      0.00000
      6       9.1347      0.00000
      7       9.1347      0.00000
      8      13.3819      0.00000

 k-point   202 :       0.3276    0.3276    0.3276
  band No.  band energies     occupation 
      1      -4.8898      2.00000
      2       0.4366      2.00000
      3       4.6491      2.00000
      4       4.6491      2.00000
      5       7.3274      0.00000
      6       9.1277      0.00000
      7       9.1277      0.00000
      8      13.3736      0.00000

 k-point   203 :       0.3362    0.3362    0.3362
  band No.  band energies     occupation 
      1      -4.8266      2.00000
      2       0.3042      2.00000
      3       4.6288      2.00000
      4       4.6288      2.00000
      5       7.3043      0.00000
      6       9.1193      0.00000
      7       9.1193      0.00000
      8      13.4183      0.00000

 k-point   204 :       0.3448    0.3448    0.3448
  band No.  band energies     occupation 
      1      -4.7629      2.00000
      2       0.1746      2.00000
      3       4.6096      2.00000
      4       4.6096      2.00000
      5       7.2823      0.00000
      6       9.1099      0.00000
      7       9.1099      0.00000
      8      13.4469      0.00000

 k-point   205 :       0.3534    0.3534    0.3534
  band No.  band energies     occupation 
      1      -4.6988      2.00000
      2       0.0481      2.00000
      3       4.5913      2.00000
      4       4.5913      2.00000
      5       7.2614      0.00000
      6       9.0997      0.00000
      7       9.0997      0.00000
      8      13.4579      0.00000

 k-point   206 :       0.3621    0.3621    0.3621
  band No.  band energies     occupation 
      1      -4.6345      2.00000
      2      -0.0751      2.00000
      3       4.5741      2.00000
      4       4.5741      2.00000
      5       7.2416      0.00000
      6       9.0888      0.00000
      7       9.0888      0.00000
      8      13.4624      0.00000

 k-point   207 :       0.3707    0.3707    0.3707
  band No.  band energies     occupation 
      1      -4.5703      2.00000
      2      -0.1948      2.00000
      3       4.5579      2.00000
      4       4.5579      2.00000
      5       7.2230      0.00000
      6       9.0776      0.00000
      7       9.0776      0.00000
      8      13.4601      0.00000

 k-point   208 :       0.3793    0.3793    0.3793
  band No.  band energies     occupation 
      1      -4.5065      2.00000
      2      -0.3106      2.00000
      3       4.5427      2.00000
      4       4.5427      2.00000
      5       7.2055      0.00000
      6       9.0663      0.00000
      7       9.0663      0.00000
      8      13.4527      0.00000

 k-point   209 :       0.3879    0.3879    0.3879
  band No.  band energies     occupation 
      1      -4.4433      2.00000
      2      -0.4223      2.00000
      3       4.5285      2.00000
      4       4.5285      2.00000
      5       7.1891      0.00000
      6       9.0549      0.00000
      7       9.0549      0.00000
      8      13.4422      0.00000

 k-point   210 :       0.3966    0.3966    0.3966
  band No.  band energies     occupation 
      1      -4.3811      2.00000
      2      -0.5294      2.00000
      3       4.5154      2.00000
      4       4.5154      2.00000
      5       7.1740      0.00000
      6       9.0437      0.00000
      7       9.0437      0.00000
      8      13.4296      0.00000

 k-point   211 :       0.4052    0.4052    0.4052
  band No.  band energies     occupation 
      1      -4.3203      2.00000
      2      -0.6315      2.00000
      3       4.5033      2.00000
      4       4.5033      2.00000
      5       7.1600      0.00000
      6       9.0329      0.00000
      7       9.0329      0.00000
      8      13.4160      0.00000

 k-point   212 :       0.4138    0.4138    0.4138
  band No.  band energies     occupation 
      1      -4.2615      2.00000
      2      -0.7282      2.00000
      3       4.4922      2.00000
      4       4.4922      2.00000
      5       7.1472      0.00000
      6       9.0227      0.00000
      7       9.0227      0.00000
      8      13.4022      0.00000

 k-point   213 :       0.4224    0.4224    0.4224
  band No.  band energies     occupation 
      1      -4.2051      2.00000
      2      -0.8188      2.00000
      3       4.4822      2.00000
      4       4.4822      2.00000
      5       7.1356      0.00000
      6       9.0129      0.00000
      7       9.0129      0.00000
      8      13.3885      0.00000

 k-point   214 :       0.4310    0.4310    0.4310
  band No.  band energies     occupation 
      1      -4.1518      2.00000
      2      -0.9029      2.00000
      3       4.4732      2.00000
      4       4.4732      2.00000
      5       7.1252      0.00000
      6       9.0040      0.00000
      7       9.0040      0.00000
      8      13.3756      0.00000

 k-point   215 :       0.4397    0.4397    0.4397
  band No.  band energies     occupation 
      1      -4.1022      2.00000
      2      -0.9796      2.00000
      3       4.4653      2.00000
      4       4.4653      2.00000
      5       7.1160      0.00000
      6       8.9959      0.00000
      7       8.9959      0.00000
      8      13.3636      0.00000

 k-point   216 :       0.4483    0.4483    0.4483
  band No.  band energies     occupation 
      1      -4.0569      2.00000
      2      -1.0483      2.00000
      3       4.4585      2.00000
      4       4.4585      2.00000
      5       7.1081      0.00000
      6       8.9887      0.00000
      7       8.9887      0.00000
      8      13.3528      0.00000

 k-point   217 :       0.4569    0.4569    0.4569
  band No.  band energies     occupation 
      1      -4.0169      2.00000
      2      -1.1082      2.00000
      3       4.4527      2.00000
      4       4.4527      2.00000
      5       7.1013      0.00000
      6       8.9825      0.00000
      7       8.9825      0.00000
      8      13.3434      0.00000

 k-point   218 :       0.4655    0.4655    0.4655
  band No.  band energies     occupation 
      1      -3.9828      2.00000
      2      -1.1586      2.00000
      3       4.4479      2.00000
      4       4.4479      2.00000
      5       7.0958      0.00000
      6       8.9774      0.00000
      7       8.9774      0.00000
      8      13.3356      0.00000

 k-point   219 :       0.4741    0.4741    0.4741
  band No.  band energies     occupation 
      1      -3.9554      2.00000
      2      -1.1987      2.00000
      3       4.4442      2.00000
      4       4.4442      2.00000
      5       7.0915      0.00000
      6       8.9733      0.00000
      7       8.9733      0.00000
      8      13.3294      0.00000

 k-point   220 :       0.4828    0.4828    0.4828
  band No.  band energies     occupation 
      1      -3.9353      2.00000
      2      -1.2278      2.00000
      3       4.4416      2.00000
      4       4.4416      2.00000
      5       7.0884      0.00000
      6       8.9704      0.00000
      7       8.9704      0.00000
      8      13.3249      0.00000

 k-point   221 :       0.4914    0.4914    0.4914
  band No.  band energies     occupation 
      1      -3.9230      2.00000
      2      -1.2455      2.00000
      3       4.4400      2.00000
      4       4.4400      2.00000
      5       7.0865      0.00000
      6       8.9686      0.00000
      7       8.9686      0.00000
      8      13.3222      0.00000

 k-point   222 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -3.9189      2.00000
      2      -1.2515      2.00000
      3       4.4395      2.00000
      4       4.4395      2.00000
      5       7.0859      0.00000
      6       8.9680      0.00000
      7       8.9680      0.00000
      8      13.3213      0.00000

 k-point   223 :       0.4947    0.5053    0.5000
  band No.  band energies     occupation 
      1      -3.9179      2.00000
      2      -1.2510      2.00000
      3       4.4299      2.00000
      4       4.4377      2.00000
      5       7.0949      0.00000
      6       8.9663      0.00000
      7       8.9718      0.00000
      8      13.3256      0.00000

 k-point   224 :       0.4894    0.5106    0.5000
  band No.  band energies     occupation 
      1      -3.9150      2.00000
      2      -1.2495      2.00000
      3       4.4016      2.00000
      4       4.4323      2.00000
      5       7.1214      0.00000
      6       8.9612      0.00000
      7       8.9832      0.00000
      8      13.3385      0.00000

 k-point   225 :       0.4840    0.5160    0.5000
  band No.  band energies     occupation 
      1      -3.9101      2.00000
      2      -1.2471      2.00000
      3       4.3559      2.00000
      4       4.4232      2.00000
      5       7.1638      0.00000
      6       8.9530      0.00000
      7       9.0025      0.00000
      8      13.3596      0.00000

 k-point   226 :       0.4787    0.5213    0.5000
  band No.  band energies     occupation 
      1      -3.9033      2.00000
      2      -1.2437      2.00000
      3       4.2947      2.00000
      4       4.4106      2.00000
      5       7.2201      0.00000
      6       8.9418      0.00000
      7       9.0301      0.00000
      8      13.3880      0.00000

 k-point   227 :       0.4734    0.5266    0.5000
  band No.  band energies     occupation 
      1      -3.8945      2.00000
      2      -1.2393      2.00000
      3       4.2202      2.00000
      4       4.3943      2.00000
      5       7.2876      0.00000
      6       8.9281      0.00000
      7       9.0660      0.00000
      8      13.4229      0.00000

 k-point   228 :       0.4681    0.5319    0.5000
  band No.  band energies     occupation 
      1      -3.8838      2.00000
      2      -1.2341      2.00000
      3       4.1345      2.00000
      4       4.3745      2.00000
      5       7.3637      0.00000
      6       8.9124      0.00000
      7       9.1110      0.00000
      8      13.4627      0.00000

 k-point   229 :       0.4628    0.5372    0.5000
  band No.  band energies     occupation 
      1      -3.8711      2.00000
      2      -1.2280      2.00000
      3       4.0399      2.00000
      4       4.3510      2.00000
      5       7.4457      0.00000
      6       8.8949      0.00000
      7       9.1654      0.00000
      8      13.5059      0.00000

 k-point   230 :       0.4574    0.5426    0.5000
  band No.  band energies     occupation 
      1      -3.8565      2.00000
      2      -1.2212      2.00000
      3       3.9381      2.00000
      4       4.3240      2.00000
      5       7.5313      0.00000
      6       8.8764      0.00000
      7       9.2300      0.00000
      8      13.5501      0.00000

 k-point   231 :       0.4521    0.5479    0.5000
  band No.  band energies     occupation 
      1      -3.8400      2.00000
      2      -1.2135      2.00000
      3       3.8308      2.00000
      4       4.2935      2.00000
      5       7.6184      0.00000
      6       8.8572      0.00000
      7       9.3052      0.00000
      8      13.5928      0.00000

 k-point   232 :       0.4468    0.5532    0.5000
  band No.  band energies     occupation 
      1      -3.8216      2.00000
      2      -1.2052      2.00000
      3       3.7195      2.00000
      4       4.2595      2.00000
      5       7.7051      0.00000
      6       8.8380      0.00000
      7       9.3914      0.00000
      8      13.6309      0.00000

 k-point   233 :       0.4415    0.5585    0.5000
  band No.  band energies     occupation 
      1      -3.8012      2.00000
      2      -1.1963      2.00000
      3       3.6052      2.00000
      4       4.2220      2.00000
      5       7.7902      0.00000
      6       8.8192      0.00000
      7       9.4887      0.00000
      8      13.6610      0.00000

 k-point   234 :       0.4362    0.5638    0.5000
  band No.  band energies     occupation 
      1      -3.7789      2.00000
      2      -1.1869      2.00000
      3       3.4892      2.00000
      4       4.1812      2.00000
      5       7.8728      0.00000
      6       8.8013      0.00000
      7       9.5971      0.00000
      8      13.6795      0.00000

 k-point   235 :       0.4309    0.5691    0.5000
  band No.  band energies     occupation 
      1      -3.7548      2.00000
      2      -1.1771      2.00000
      3       3.3720      2.00000
      4       4.1371      2.00000
      5       7.9523      0.00000
      6       8.7847      0.00000
      7       9.7165      0.00000
      8      13.6836      0.00000

 k-point   236 :       0.4255    0.5745    0.5000
  band No.  band energies     occupation 
      1      -3.7287      2.00000
      2      -1.1670      2.00000
      3       3.2547      2.00000
      4       4.0898      2.00000
      5       8.0286      0.00000
      6       8.7700      0.00000
      7       9.8464      0.00000
      8      13.6713      0.00000

 k-point   237 :       0.4202    0.5798    0.5000
  band No.  band energies     occupation 
      1      -3.7007      2.00000
      2      -1.1567      2.00000
      3       3.1376      2.00000
      4       4.0394      2.00000
      5       8.1015      0.00000
      6       8.7573      0.00000
      7       9.9861      0.00000
      8      13.6409      0.00000

 k-point   238 :       0.4149    0.5851    0.5000
  band No.  band energies     occupation 
      1      -3.6709      2.00000
      2      -1.1464      2.00000
      3       3.0216      2.00000
      4       3.9860      2.00000
      5       8.1715      0.00000
      6       8.7469      0.00000
      7      10.1350      0.00000
      8      13.5982      0.00000

 k-point   239 :       0.4096    0.5904    0.5000
  band No.  band energies     occupation 
      1      -3.6392      2.00000
      2      -1.1363      2.00000
      3       2.9070      2.00000
      4       3.9298      2.00000
      5       8.2389      0.00000
      6       8.7392      0.00000
      7      10.2922      0.00000
      8      13.5524      0.00000

 k-point   240 :       0.4043    0.5957    0.5000
  band No.  band energies     occupation 
      1      -3.6057      2.00000
      2      -1.1266      2.00000
      3       2.7944      2.00000
      4       3.8709      2.00000
      5       8.3041      0.00000
      6       8.7344      0.00000
      7      10.4570      0.00000
      8      13.4609      0.00000

 k-point   241 :       0.3989    0.6011    0.5000
  band No.  band energies     occupation 
      1      -3.5703      2.00000
      2      -1.1174      2.00000
      3       2.6842      2.00000
      4       3.8095      2.00000
      5       8.3677      0.00000
      6       8.7327      0.00000
      7      10.6287      0.00000
      8      13.3236      0.00000

 k-point   242 :       0.3936    0.6064    0.5000
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -1.1091      2.00000
      3       2.5769      2.00000
      4       3.7458      2.00000
      5       8.4299      0.00000
      6       8.7341      0.00000
      7      10.8064      0.00000
      8      13.1812      0.00000

 k-point   243 :       0.3883    0.6117    0.5000
  band No.  band energies     occupation 
      1      -3.4941      2.00000
      2      -1.1018      2.00000
      3       2.4729      2.00000
      4       3.6799      2.00000
      5       8.4913      0.00000
      6       8.7387      0.00000
      7      10.9894      0.00000
      8      13.0346      0.00000

 k-point   244 :       0.3830    0.6170    0.5000
  band No.  band energies     occupation 
      1      -3.4534      2.00000
      2      -1.0958      2.00000
      3       2.3726      2.00000
      4       3.6121      2.00000
      5       8.5522      0.00000
      6       8.7468      0.00000
      7      11.1774      0.00000
      8      12.8936      0.00000

 k-point   245 :       0.3777    0.6223    0.5000
  band No.  band energies     occupation 
      1      -3.4108      2.00000
      2      -1.0914      2.00000
      3       2.2765      2.00000
      4       3.5425      2.00000
      5       8.6128      0.00000
      6       8.7582      0.00000
      7      11.3696      0.00000
      8      12.7569      0.00000

 k-point   246 :       0.3723    0.6277    0.5000
  band No.  band energies     occupation 
      1      -3.3666      2.00000
      2      -1.0890      2.00000
      3       2.1850      2.00000
      4       3.4713      2.00000
      5       8.6736      0.00000
      6       8.7730      0.00000
      7      11.5653      0.00000
      8      12.6202      0.00000

 k-point   247 :       0.3670    0.6330    0.5000
  band No.  band energies     occupation 
      1      -3.3206      2.00000
      2      -1.0889      2.00000
      3       2.0985      2.00000
      4       3.3988      2.00000
      5       8.7346      0.00000
      6       8.7912      0.00000
      7      11.7640      0.00000
      8      12.4847      0.00000

 k-point   248 :       0.3617    0.6383    0.5000
  band No.  band energies     occupation 
      1      -3.2729      2.00000
      2      -1.0913      2.00000
      3       2.0174      2.00000
      4       3.3251      2.00000
      5       8.7961      0.00000
      6       8.8128      0.00000
      7      11.9640      0.00000
      8      12.3547      0.00000

 k-point   249 :       0.3564    0.6436    0.5000
  band No.  band energies     occupation 
      1      -3.2236      2.00000
      2      -1.0968      2.00000
      3       1.9422      2.00000
      4       3.2504      2.00000
      5       8.8378      0.00000
      6       8.8582      0.00000
      7      12.1448      0.00000
      8      12.2498      0.00000

 k-point   250 :       0.3511    0.6489    0.5000
  band No.  band energies     occupation 
      1      -3.1726      2.00000
      2      -1.1055      2.00000
      3       1.8733      2.00000
      4       3.1750      2.00000
      5       8.8662      0.00000
      6       8.9211      0.00000
      7      12.0825      0.00000
      8      12.3938      0.00000

 k-point   251 :       0.3457    0.6543    0.5000
  band No.  band energies     occupation 
      1      -3.1201      2.00000
      2      -1.1179      2.00000
      3       1.8109      2.00000
      4       3.0990      2.00000
      5       8.8978      0.00000
      6       8.9849      0.00000
      7      11.9602      0.00000
      8      12.3188      0.00000

 k-point   252 :       0.3404    0.6596    0.5000
  band No.  band energies     occupation 
      1      -3.0660      2.00000
      2      -1.1341      2.00000
      3       1.7555      2.00000
      4       3.0226      2.00000
      5       8.9326      0.00000
      6       9.0496      0.00000
      7      11.8375      0.00000
      8      12.2072      0.00000

 k-point   253 :       0.3351    0.6649    0.5000
  band No.  band energies     occupation 
      1      -3.0104      2.00000
      2      -1.1545      2.00000
      3       1.7073      2.00000
      4       2.9461      2.00000
      5       8.9705      0.00000
      6       9.1153      0.00000
      7      11.7166      0.00000
      8      12.0962      0.00000

 k-point   254 :       0.3298    0.6702    0.5000
  band No.  band energies     occupation 
      1      -2.9533      2.00000
      2      -1.1791      2.00000
      3       1.6664      2.00000
      4       2.8696      2.00000
      5       9.0116      0.00000
      6       9.1820      0.00000
      7      11.5978      0.00000
      8      11.9859      0.00000

 k-point   255 :       0.3245    0.6755    0.5000
  band No.  band energies     occupation 
      1      -2.8948      2.00000
      2      -1.2081      2.00000
      3       1.6331      2.00000
      4       2.7933      2.00000
      5       9.0557      0.00000
      6       9.2496      0.00000
      7      11.4814      0.00000
      8      11.8764      0.00000

 k-point   256 :       0.3191    0.6809    0.5000
  band No.  band energies     occupation 
      1      -2.8350      2.00000
      2      -1.2414      2.00000
      3       1.6072      2.00000
      4       2.7174      2.00000
      5       9.1027      0.00000
      6       9.3183      0.00000
      7      11.3675      0.00000
      8      11.7679      0.00000

 k-point   257 :       0.3138    0.6862    0.5000
  band No.  band energies     occupation 
      1      -2.7738      2.00000
      2      -1.2791      2.00000
      3       1.5889      2.00000
      4       2.6421      2.00000
      5       9.1525      0.00000
      6       9.3878      0.00000
      7      11.2563      0.00000
      8      11.6606      0.00000

 k-point   258 :       0.3085    0.6915    0.5000
  band No.  band energies     occupation 
      1      -2.7115      2.00000
      2      -1.3210      2.00000
      3       1.5779      2.00000
      4       2.5676      2.00000
      5       9.2051      0.00000
      6       9.4581      0.00000
      7      11.1480      0.00000
      8      11.5546      0.00000

 k-point   259 :       0.3032    0.6968    0.5000
  band No.  band energies     occupation 
      1      -2.6480      2.00000
      2      -1.3668      2.00000
      3       1.5740      2.00000
      4       2.4941      2.00000
      5       9.2604      0.00000
      6       9.5289      0.00000
      7      11.0429      0.00000
      8      11.4499      0.00000

 k-point   260 :       0.2979    0.7021    0.5000
  band No.  band energies     occupation 
      1      -2.5834      2.00000
      2      -1.4164      2.00000
      3       1.5770      2.00000
      4       2.4218      2.00000
      5       9.3181      0.00000
      6       9.5999      0.00000
      7      10.9413      0.00000
      8      11.3468      0.00000

 k-point   261 :       0.2926    0.7074    0.5000
  band No.  band energies     occupation 
      1      -2.5179      2.00000
      2      -1.4693      2.00000
      3       1.5866      2.00000
      4       2.3507      2.00000
      5       9.3782      0.00000
      6       9.6704      0.00000
      7      10.8441      0.00000
      8      11.2455      0.00000

 k-point   262 :       0.2872    0.7128    0.5000
  band No.  band energies     occupation 
      1      -2.4515      2.00000
      2      -1.5253      2.00000
      3       1.6024      2.00000
      4       2.2813      2.00000
      5       9.4406      0.00000
      6       9.7396      0.00000
      7      10.7520      0.00000
      8      11.1461      0.00000

 k-point   263 :       0.2819    0.7181    0.5000
  band No.  band energies     occupation 
      1      -2.3844      2.00000
      2      -1.5841      2.00000
      3       1.6240      2.00000
      4       2.2136      2.00000
      5       9.5047      0.00000
      6       9.8058      0.00000
      7      10.6667      0.00000
      8      11.0488      0.00000

 k-point   264 :       0.2766    0.7234    0.5000
  band No.  band energies     occupation 
      1      -2.3167      2.00000
      2      -1.6452      2.00000
      3       1.6511      2.00000
      4       2.1478      2.00000
      5       9.5705      0.00000
      6       9.8662      0.00000
      7      10.5911      0.00000
      8      10.9541      0.00000

 k-point   265 :       0.2713    0.7287    0.5000
  band No.  band energies     occupation 
      1      -2.2484      2.00000
      2      -1.7082      2.00000
      3       1.6834      2.00000
      4       2.0842      2.00000
      5       9.6372      0.00000
      6       9.9160      0.00000
      7      10.5301      0.00000
      8      10.8625      0.00000

 k-point   266 :       0.2660    0.7340    0.5000
  band No.  band energies     occupation 
      1      -2.1799      2.00000
      2      -1.7730      2.00000
      3       1.7203      2.00000
      4       2.0230      2.00000
      5       9.7043      0.00000
      6       9.9478      0.00000
      7      10.4910      0.00000
      8      10.7746      0.00000

 k-point   267 :       0.2606    0.7394    0.5000
  band No.  band energies     occupation 
      1      -2.1112      2.00000
      2      -1.8391      2.00000
      3       1.7617      2.00000
      4       1.9644      2.00000
      5       9.7703      0.00000
      6       9.9538      0.00000
      7      10.4816      0.00000
      8      10.6918      0.00000

 k-point   268 :       0.2553    0.7447    0.5000
  band No.  band energies     occupation 
      1      -2.0425      2.00000
      2      -1.9062      2.00000
      3       1.8070      2.00000
      4       1.9087      2.00000
      5       9.8331      0.00000
      6       9.9321      0.00000
      7      10.5038      0.00000
      8      10.6161      0.00000

 k-point   269 :       0.2500    0.7500    0.5000
  band No.  band energies     occupation 
      1      -1.9741      2.00000
      2      -1.9741      2.00000
      3       1.8562      2.00000
      4       1.8562      2.00000
      5       9.8892      0.00000
      6       9.8892      0.00000
      7      10.5514      0.00000
      8      10.5514      0.00000

 k-point   270 :       0.2424    0.7424    0.5000
  band No.  band energies     occupation 
      1      -1.9745      2.00000
      2      -1.9745      2.00000
      3       1.8579      2.00000
      4       1.8579      2.00000
      5       9.8452      0.00000
      6       9.8452      0.00000
      7      10.5974      0.00000
      8      10.5974      0.00000

 k-point   271 :       0.2348    0.7348    0.5000
  band No.  band energies     occupation 
      1      -1.9757      2.00000
      2      -1.9757      2.00000
      3       1.8632      2.00000
      4       1.8632      2.00000
      5       9.7376      0.00000
      6       9.7376      0.00000
      7      10.7109      0.00000
      8      10.7109      0.00000

 k-point   272 :       0.2273    0.7273    0.5000
  band No.  band energies     occupation 
      1      -1.9776      2.00000
      2      -1.9776      2.00000
      3       1.8719      2.00000
      4       1.8719      2.00000
      5       9.6002      0.00000
      6       9.6002      0.00000
      7      10.8581      0.00000
      8      10.8581      0.00000

 k-point   273 :       0.2197    0.7197    0.5000
  band No.  band energies     occupation 
      1      -1.9802      2.00000
      2      -1.9802      2.00000
      3       1.8840      2.00000
      4       1.8840      2.00000
      5       9.4504      0.00000
      6       9.4504      0.00000
      7      11.0217      0.00000
      8      11.0217      0.00000

 k-point   274 :       0.2121    0.7121    0.5000
  band No.  band energies     occupation 
      1      -1.9835      2.00000
      2      -1.9835      2.00000
      3       1.8995      2.00000
      4       1.8995      2.00000
      5       9.2953      0.00000
      6       9.2953      0.00000
      7      11.1943      0.00000
      8      11.1943      0.00000

 k-point   275 :       0.2045    0.7045    0.5000
  band No.  band energies     occupation 
      1      -1.9875      2.00000
      2      -1.9875      2.00000
      3       1.9183      2.00000
      4       1.9183      2.00000
      5       9.1385      0.00000
      6       9.1385      0.00000
      7      11.3726      0.00000
      8      11.3726      0.00000

 k-point   276 :       0.1970    0.6970    0.5000
  band No.  band energies     occupation 
      1      -1.9921      2.00000
      2      -1.9921      2.00000
      3       1.9403      2.00000
      4       1.9403      2.00000
      5       8.9818      0.00000
      6       8.9818      0.00000
      7      11.5549      0.00000
      8      11.5549      0.00000

 k-point   277 :       0.1894    0.6894    0.5000
  band No.  band energies     occupation 
      1      -1.9973      2.00000
      2      -1.9973      2.00000
      3       1.9653      2.00000
      4       1.9653      2.00000
      5       8.8259      0.00000
      6       8.8259      0.00000
      7      11.7400      0.00000
      8      11.7400      0.00000

 k-point   278 :       0.1818    0.6818    0.5000
  band No.  band energies     occupation 
      1      -2.0029      2.00000
      2      -2.0029      2.00000
      3       1.9933      2.00000
      4       1.9933      2.00000
      5       8.6718      0.00000
      6       8.6718      0.00000
      7      11.9276      0.00000
      8      11.9276      0.00000

 k-point   279 :       0.1742    0.6742    0.5000
  band No.  band energies     occupation 
      1      -2.0091      2.00000
      2      -2.0091      2.00000
      3       2.0240      2.00000
      4       2.0240      2.00000
      5       8.5198      0.00000
      6       8.5198      0.00000
      7      12.1170      0.00000
      8      12.1170      0.00000

 k-point   280 :       0.1667    0.6667    0.5000
  band No.  band energies     occupation 
      1      -2.0155      2.00000
      2      -2.0155      2.00000
      3       2.0574      2.00000
      4       2.0574      2.00000
      5       8.3703      0.00000
      6       8.3703      0.00000
      7      12.3079      0.00000
      8      12.3079      0.00000

 k-point   281 :       0.1591    0.6591    0.5000
  band No.  band energies     occupation 
      1      -2.0224      2.00000
      2      -2.0224      2.00000
      3       2.0932      2.00000
      4       2.0932      2.00000
      5       8.2236      0.00000
      6       8.2236      0.00000
      7      12.5000      0.00000
      8      12.5000      0.00000

 k-point   282 :       0.1515    0.6515    0.5000
  band No.  band energies     occupation 
      1      -2.0294      2.00000
      2      -2.0294      2.00000
      3       2.1312      2.00000
      4       2.1312      2.00000
      5       8.0798      0.00000
      6       8.0798      0.00000
      7      12.6931      0.00000
      8      12.6931      0.00000

 k-point   283 :       0.1439    0.6439    0.5000
  band No.  band energies     occupation 
      1      -2.0366      2.00000
      2      -2.0366      2.00000
      3       2.1712      2.00000
      4       2.1712      2.00000
      5       7.9394      0.00000
      6       7.9394      0.00000
      7      12.8868      0.00000
      8      12.8868      0.00000

 k-point   284 :       0.1364    0.6364    0.5000
  band No.  band energies     occupation 
      1      -2.0440      2.00000
      2      -2.0440      2.00000
      3       2.2129      2.00000
      4       2.2129      2.00000
      5       7.8026      0.00000
      6       7.8026      0.00000
      7      13.0810      0.00000
      8      13.0810      0.00000

 k-point   285 :       0.1288    0.6288    0.5000
  band No.  band energies     occupation 
      1      -2.0513      2.00000
      2      -2.0513      2.00000
      3       2.2561      2.00000
      4       2.2561      2.00000
      5       7.6696      0.00000
      6       7.6696      0.00000
      7      13.2753      0.00000
      8      13.2753      0.00000

 k-point   286 :       0.1212    0.6212    0.5000
  band No.  band energies     occupation 
      1      -2.0587      2.00000
      2      -2.0587      2.00000
      3       2.3005      2.00000
      4       2.3005      2.00000
      5       7.5408      0.00000
      6       7.5408      0.00000
      7      13.4693      0.00000
      8      13.4693      0.00000

 k-point   287 :       0.1136    0.6136    0.5000
  band No.  band energies     occupation 
      1      -2.0659      2.00000
      2      -2.0659      2.00000
      3       2.3457      2.00000
      4       2.3457      2.00000
      5       7.4164      0.00000
      6       7.4164      0.00000
      7      13.6626      0.00000
      8      13.6626      0.00000

 k-point   288 :       0.1061    0.6061    0.5000
  band No.  band energies     occupation 
      1      -2.0730      2.00000
      2      -2.0730      2.00000
      3       2.3915      2.00000
      4       2.3915      2.00000
      5       7.2967      0.00000
      6       7.2967      0.00000
      7      13.8547      0.00000
      8      13.8547      0.00000

 k-point   289 :       0.0985    0.5985    0.5000
  band No.  band energies     occupation 
      1      -2.0799      2.00000
      2      -2.0799      2.00000
      3       2.4373      2.00000
      4       2.4373      2.00000
      5       7.1822      0.00000
      6       7.1822      0.00000
      7      14.0448      0.00000
      8      14.0448      0.00000

 k-point   290 :       0.0909    0.5909    0.5000
  band No.  band energies     occupation 
      1      -2.0864      2.00000
      2      -2.0864      2.00000
      3       2.4829      2.00000
      4       2.4829      2.00000
      5       7.0732      0.00000
      6       7.0732      0.00000
      7      14.2324      0.00000
      8      14.2325      0.00000

 k-point   291 :       0.0833    0.5833    0.5000
  band No.  band energies     occupation 
      1      -2.0927      2.00000
      2      -2.0927      2.00000
      3       2.5277      2.00000
      4       2.5277      2.00000
      5       6.9702      0.00000
      6       6.9702      0.00000
      7      14.4161      0.00000
      8      14.4161      0.00000

 k-point   292 :       0.0758    0.5758    0.5000
  band No.  band energies     occupation 
      1      -2.0986      2.00000
      2      -2.0986      2.00000
      3       2.5713      2.00000
      4       2.5713      2.00000
      5       6.8735      0.00000
      6       6.8735      0.00000
      7      14.5943      0.00000
      8      14.5944      0.00000

 k-point   293 :       0.0682    0.5682    0.5000
  band No.  band energies     occupation 
      1      -2.1041      2.00000
      2      -2.1041      2.00000
      3       2.6132      2.00000
      4       2.6132      2.00000
      5       6.7836      0.00000
      6       6.7836      0.00000
      7      14.7654      0.00000
      8      14.7655      0.00000

 k-point   294 :       0.0606    0.5606    0.5000
  band No.  band energies     occupation 
      1      -2.1091      2.00000
      2      -2.1091      2.00000
      3       2.6528      2.00000
      4       2.6528      2.00000
      5       6.7012      0.00000
      6       6.7012      0.00000
      7      14.9268      0.00000
      8      14.9269      0.00000

 k-point   295 :       0.0530    0.5530    0.5000
  band No.  band energies     occupation 
      1      -2.1136      2.00000
      2      -2.1136      2.00000
      3       2.6895      2.00000
      4       2.6895      2.00000
      5       6.6266      0.00000
      6       6.6266      0.00000
      7      15.0754      0.00000
      8      15.0759      0.00000

 k-point   296 :       0.0455    0.5455    0.5000
  band No.  band energies     occupation 
      1      -2.1175      2.00000
      2      -2.1175      2.00000
      3       2.7228      2.00000
      4       2.7228      2.00000
      5       6.5606      0.00000
      6       6.5606      0.00000
      7      15.2075      0.00000
      8      15.2080      0.00000

 k-point   297 :       0.0379    0.5379    0.5000
  band No.  band energies     occupation 
      1      -2.1209      2.00000
      2      -2.1209      2.00000
      3       2.7522      2.00000
      4       2.7522      2.00000
      5       6.5036      0.00000
      6       6.5036      0.00000
      7      15.3197      0.00000
      8      15.3204      0.00000

 k-point   298 :       0.0303    0.5303    0.5000
  band No.  band energies     occupation 
      1      -2.1237      2.00000
      2      -2.1237      2.00000
      3       2.7771      2.00000
      4       2.7771      2.00000
      5       6.4562      0.00000
      6       6.4562      0.00000
      7      15.4096      0.00000
      8      15.4099      0.00000

 k-point   299 :       0.0227    0.5227    0.5000
  band No.  band energies     occupation 
      1      -2.1259      2.00000
      2      -2.1259      2.00000
      3       2.7970      2.00000
      4       2.7970      2.00000
      5       6.4187      0.00000
      6       6.4187      0.00000
      7      15.4766      0.00000
      8      15.4787      0.00000

 k-point   300 :       0.0152    0.5152    0.5000
  band No.  band energies     occupation 
      1      -2.1275      2.00000
      2      -2.1275      2.00000
      3       2.8116      2.00000
      4       2.8116      2.00000
      5       6.3916      0.00000
      6       6.3916      0.00000
      7      15.5223      0.00000
      8      15.5231      0.00000

 k-point   301 :       0.0076    0.5076    0.5000
  band No.  band energies     occupation 
      1      -2.1285      2.00000
      2      -2.1285      2.00000
      3       2.8204      2.00000
      4       2.8204      2.00000
      5       6.3753      0.00000
      6       6.3753      0.00000
      7      15.5487      0.00000
      8      15.5504      0.00000

 k-point   302 :      -0.0000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -2.1288      2.00000
      2      -2.1288      2.00000
      3       2.8234      2.00000
      4       2.8234      2.00000
      5       6.3698      0.00000
      6       6.3698      0.00000
      7      15.5571      0.00000
      8      15.5616      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
 18.437  25.723   0.000  -0.000  -0.000   0.000  -0.000  -0.000
 25.723  35.893   0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000   4.181  -0.000  -0.000   7.790  -0.000  -0.000
 -0.000  -0.000  -0.000   4.181  -0.000  -0.000   7.790  -0.000
 -0.000  -0.000  -0.000  -0.000   4.181  -0.000  -0.000   7.790
  0.000   0.000   7.790  -0.000  -0.000  14.528  -0.000  -0.000
 -0.000  -0.000  -0.000   7.790  -0.000  -0.000  14.528  -0.000
 -0.000  -0.000  -0.000  -0.000   7.790  -0.000  -0.000  14.528
 total augmentation occupancy for first ion, spin component:           1
  2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.667   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.667   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.667   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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





 total charge     

# of ion       s       p       d       tot
------------------------------------------
    1        0.694   1.001   0.000   1.695
    2        0.694   1.001   0.000   1.695
--------------------------------------------------
tot          1.388   2.002   0.000   3.391

    CHARGE:  cpu time    0.0558: real time    0.0561
    FORLOC:  cpu time    0.0003: real time    0.0003
    FORNL :  cpu time    0.0223: real time    0.0225
    STRESS:  cpu time    0.2795: real time    0.2813
    FORCOR:  cpu time    0.0074: real time    0.0075
    FORHAR:  cpu time    0.0016: real time    0.0017
    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     3.29392     3.29392     3.29392
  Ewald     -75.65402   -75.65402   -75.65402    -0.00000     0.00000     0.00000
  Hartree     5.56188     5.54423     5.95391     0.04138     0.30351     0.33251
  E(xc)     -25.43681   -25.29544   -25.16197    -0.05403     0.18328     0.08402
  Local     -33.29572   -30.35557   -28.70760    -1.17276     3.09863     1.07648
  n-local    78.39402    76.45992    74.77614     0.84684    -2.37153    -1.00428
  augment   -11.40400   -11.16596   -10.91317    -0.10089     0.34098     0.16174
  Kinetic    61.06676    60.92082    58.69487    -0.03908    -2.72261    -0.82906
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       2.52602     3.74789     2.28206    -0.47854    -1.16773    -0.17859
  in kB      99.00262   146.89136    89.44093   -18.75553   -45.76706    -6.99945
  external pressure =      111.78 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :       40.88
      direct lattice vectors                 reciprocal lattice vectors
     3.348646520  0.000000000  1.933341970     0.298628116 -0.105580983  0.000000000
     1.116215510  3.157134220  1.933341970     0.000000000  0.316742948  0.000000000
     0.000000000  0.000000000  3.866683940    -0.149314058 -0.105580983  0.258619534

  length of vectors
     3.866683940  3.866683944  3.866683940     0.316742948  0.316742948  0.316742948


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.653E+00 0.718E+00 0.129E+01   0.557E-07 -.104E-06 0.646E-15   -.807E+00 -.387E+00 -.167E+01   -.536E-02 -.106E+00 0.561E-02
   -.653E+00 -.718E+00 -.129E+01   -.557E-07 0.104E-06 -.798E-15   0.807E+00 0.387E+00 0.167E+01   0.536E-02 0.106E+00 -.561E-02
 -----------------------------------------------------------------------------------------------
   0.253E-05 0.193E-05 0.369E-05   -.496E-15 -.464E-16 -.152E-15   -.203E-05 -.884E-06 -.329E-05   -.203E-06 -.214E-06 -.236E-06


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.159023      0.224808     -0.374712
      1.11622      0.78928      1.93334         0.159023     -0.224808      0.374712
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000001      0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.91482868 eV

  energy  without entropy=       -7.91482868  energy(sigma->0) =       -7.91482868



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


    POTLOK:  cpu time    0.0304: real time    0.0306


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


     LOOP+:  cpu time    4.4958: real time    4.5299
    4ORBIT:  cpu time    0.0000: real time    0.0000



 total charge     

# of ion       s       p       d       tot
------------------------------------------
    1        0.694   1.001   0.000   1.695
    2        0.694   1.001   0.000   1.695
--------------------------------------------------
tot          1.388   2.002   0.000   3.391


 total amount of memory used by VASP MPI-rank0    51295. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      14713. kBytes
   fftplans  :        858. kBytes
   grid      :       1969. kBytes
   one-center:          6. kBytes
   wavefun   :       3749. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):        5.347
                            User time (sec):        4.956
                          System time (sec):        0.390
                         Elapsed time (sec):        5.656
  
                   Maximum memory used (kb):       85760.
                   Average memory used (kb):           0.
  
                          Minor page faults:        17416
                          Major page faults:           11
                 Voluntary context switches:          336
