 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.03.29  11:46:48
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


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


 INCAR:
   SYSTEM = Al Lattice Relaxation  HSE06-1/2x vdW-DF2, Parralel 2D minimization
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   ISMEAR = 1
   SIGMA = 0.2
   IBRION = -1
   NSW = 0
   EDIFFG = -0.005
   ADDGRID = .TRUE.
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

 POTCAR:    PAW_PBE Al 04Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have switched on vdW-DFT.                                           |
|     This routine was written and supplied by Jiri Klimes. We recommend      |
|     that you carefully read and cite the following publications:            |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          J. Phys.: Cond Matt. 22 022201 (2010)                              |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          Phys. Rev. B. 83, 195131 (2011)                                    |
|     and references therein.                                                 |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Al 04Jan2001                  
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      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 Al 04Jan2001                  :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0005 (will be added to EATOM!!)
 
 
 POSCAR: Al
  positions in cartesian coordinates
  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 2.86   2 2.86   2 2.86
   2  0.333  0.333  0.106-   3 2.86   1 2.86   1 2.86   3 2.86   1 2.86   3 2.86
   3  0.667  0.667  0.212-   4 2.82   4 2.82   4 2.82   2 2.86   2 2.86   2 2.86
   4  0.000  0.000  0.316-   3 2.82   3 2.82   3 2.82
 

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


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

                                     Primitive cell                                     

  volume of cell :     155.5608

  direct lattice vectors                    reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.333333333  0.333333333  0.106053564
     0.666666667  0.666666667  0.212107129
     0.000000000  0.000000000  0.315887895

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   24   24    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.014581716 -0.008418758  0.000000000     0.041666667  0.000000000  0.000000000
     0.000000000  0.016837515  0.000000000     0.000000000  0.041666667  0.000000000
     0.000000000  0.000000000  0.045455954     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.016837515  0.016837515  0.045455954

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

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    290 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.041667 -0.000000  0.000000      2.000000
  0.041667  0.041667  0.000000      2.000000
  0.000000  0.041667  0.000000      2.000000
  0.083333  0.000000  0.000000      2.000000
  0.083333  0.083333  0.000000      2.000000
  0.000000  0.083333  0.000000      2.000000
  0.125000  0.000000  0.000000      2.000000
  0.125000  0.125000  0.000000      2.000000
  0.000000  0.125000  0.000000      2.000000
  0.166667 -0.000000  0.000000      2.000000
  0.166667  0.166667  0.000000      2.000000
  0.000000  0.166667  0.000000      2.000000
  0.208333  0.000000  0.000000      2.000000
  0.208333  0.208333  0.000000      2.000000
  0.000000  0.208333  0.000000      2.000000
  0.250000  0.000000  0.000000      2.000000
  0.250000  0.250000  0.000000      2.000000
  0.000000  0.250000  0.000000      2.000000
  0.291667  0.000000  0.000000      2.000000
  0.291667  0.291667  0.000000      2.000000
  0.000000  0.291667  0.000000      2.000000
  0.333333  0.000000  0.000000      2.000000
  0.333333  0.333333  0.000000      2.000000
  0.000000  0.333333  0.000000      2.000000
  0.375000  0.000000  0.000000      2.000000
  0.375000  0.375000  0.000000      2.000000
  0.000000  0.375000  0.000000      2.000000
  0.416667  0.000000  0.000000      2.000000
  0.416667  0.416667  0.000000      2.000000
  0.000000  0.416667  0.000000      2.000000
  0.458333  0.000000  0.000000      2.000000
  0.458333  0.458333  0.000000      2.000000
  0.000000  0.458333  0.000000      2.000000
  0.500000  0.000000  0.000000      1.000000
  0.500000  0.500000  0.000000      1.000000
  0.000000  0.500000  0.000000      1.000000
  0.083333  0.041667  0.000000      2.000000
  0.041667  0.083333  0.000000      2.000000
 -0.041667  0.041667  0.000000      2.000000
  0.125000  0.041667  0.000000      2.000000
  0.083333  0.125000  0.000000      2.000000
 -0.041667  0.083333  0.000000      2.000000
  0.083333 -0.041667  0.000000      2.000000
 -0.041667 -0.125000  0.000000      2.000000
 -0.125000 -0.083333  0.000000      2.000000
  0.166667  0.041667  0.000000      2.000000
  0.125000  0.166667  0.000000      2.000000
 -0.041667  0.125000  0.000000      2.000000
  0.125000 -0.041667  0.000000      2.000000
 -0.041667 -0.166667  0.000000      2.000000
 -0.166667 -0.125000  0.000000      2.000000
  0.208333  0.041667  0.000000      2.000000
  0.166667  0.208333  0.000000      2.000000
 -0.041667  0.166667  0.000000      2.000000
  0.166667 -0.041667  0.000000      2.000000
 -0.041667 -0.208333  0.000000      2.000000
 -0.208333 -0.166667  0.000000      2.000000
  0.250000  0.041667  0.000000      2.000000
  0.208333  0.250000  0.000000      2.000000
 -0.041667  0.208333  0.000000      2.000000
  0.208333 -0.041667  0.000000      2.000000
 -0.041667 -0.250000  0.000000      2.000000
 -0.250000 -0.208333  0.000000      2.000000
  0.291667  0.041667  0.000000      2.000000
  0.250000  0.291667  0.000000      2.000000
 -0.041667  0.250000  0.000000      2.000000
  0.250000 -0.041667  0.000000      2.000000
 -0.041667 -0.291667  0.000000      2.000000
 -0.291667 -0.250000  0.000000      2.000000
  0.333333  0.041667  0.000000      2.000000
  0.291667  0.333333  0.000000      2.000000
 -0.041667  0.291667  0.000000      2.000000
  0.291667 -0.041667  0.000000      2.000000
 -0.041667 -0.333333  0.000000      2.000000
 -0.333333 -0.291667  0.000000      2.000000
  0.375000  0.041667  0.000000      2.000000
  0.333333  0.375000  0.000000      2.000000
 -0.041667  0.333333  0.000000      2.000000
  0.333333 -0.041667  0.000000      2.000000
 -0.041667 -0.375000  0.000000      2.000000
 -0.375000 -0.333333  0.000000      2.000000
  0.416667  0.041667  0.000000      2.000000
  0.375000  0.416667  0.000000      2.000000
 -0.041667  0.375000  0.000000      2.000000
  0.375000 -0.041667  0.000000      2.000000
 -0.041667 -0.416667  0.000000      2.000000
 -0.416667 -0.375000  0.000000      2.000000
  0.458333  0.041667  0.000000      2.000000
  0.416667  0.458333  0.000000      2.000000
 -0.041667  0.416667  0.000000      2.000000
  0.416667 -0.041667  0.000000      2.000000
 -0.041667 -0.458333  0.000000      2.000000
 -0.458333 -0.416667  0.000000      2.000000
  0.500000  0.041667  0.000000      2.000000
  0.458333  0.500000  0.000000      2.000000
 -0.041667  0.458333  0.000000      2.000000
  0.458333 -0.041667  0.000000      2.000000
 -0.041667  0.500000  0.000000      2.000000
  0.500000 -0.458333  0.000000      2.000000
  0.166667  0.083333  0.000000      2.000000
  0.083333  0.166667  0.000000      2.000000
 -0.083333  0.083333  0.000000      2.000000
  0.208333  0.083333  0.000000      2.000000
  0.125000  0.208333  0.000000      2.000000
 -0.083333  0.125000  0.000000      2.000000
  0.125000 -0.083333  0.000000      2.000000
 -0.083333 -0.208333  0.000000      2.000000
 -0.208333 -0.125000  0.000000      2.000000
  0.250000  0.083333  0.000000      2.000000
  0.166667  0.250000  0.000000      2.000000
 -0.083333  0.166667  0.000000      2.000000
  0.166667 -0.083333  0.000000      2.000000
 -0.083333 -0.250000  0.000000      2.000000
 -0.250000 -0.166667  0.000000      2.000000
  0.291667  0.083333  0.000000      2.000000
  0.208333  0.291667  0.000000      2.000000
 -0.083333  0.208333  0.000000      2.000000
  0.208333 -0.083333  0.000000      2.000000
 -0.083333 -0.291667  0.000000      2.000000
 -0.291667 -0.208333  0.000000      2.000000
  0.333333  0.083333  0.000000      2.000000
  0.250000  0.333333  0.000000      2.000000
 -0.083333  0.250000  0.000000      2.000000
  0.250000 -0.083333  0.000000      2.000000
 -0.083333 -0.333333  0.000000      2.000000
 -0.333333 -0.250000  0.000000      2.000000
  0.375000  0.083333  0.000000      2.000000
  0.291667  0.375000  0.000000      2.000000
 -0.083333  0.291667  0.000000      2.000000
  0.291667 -0.083333  0.000000      2.000000
 -0.083333 -0.375000  0.000000      2.000000
 -0.375000 -0.291667  0.000000      2.000000
  0.416667  0.083333  0.000000      2.000000
  0.333333  0.416667  0.000000      2.000000
 -0.083333  0.333333  0.000000      2.000000
  0.333333 -0.083333  0.000000      2.000000
 -0.083333 -0.416667  0.000000      2.000000
 -0.416667 -0.333333  0.000000      2.000000
  0.458333  0.083333  0.000000      2.000000
  0.375000  0.458333  0.000000      2.000000
 -0.083333  0.375000  0.000000      2.000000
  0.375000 -0.083333  0.000000      2.000000
 -0.083333 -0.458333  0.000000      2.000000
 -0.458333 -0.375000  0.000000      2.000000
  0.500000  0.083333  0.000000      2.000000
  0.416667  0.500000  0.000000      2.000000
 -0.083333  0.416667  0.000000      2.000000
  0.416667 -0.083333  0.000000      2.000000
 -0.083333  0.500000  0.000000      2.000000
  0.500000 -0.416667  0.000000      2.000000
 -0.458333  0.083333  0.000000      2.000000
  0.458333 -0.458333  0.000000      2.000000
 -0.083333  0.458333  0.000000      2.000000
  0.250000  0.125000  0.000000      2.000000
  0.125000  0.250000  0.000000      2.000000
 -0.125000  0.125000  0.000000      2.000000
  0.291667  0.125000  0.000000      2.000000
  0.166667  0.291667  0.000000      2.000000
 -0.125000  0.166667  0.000000      2.000000
  0.166667 -0.125000  0.000000      2.000000
 -0.125000 -0.291667  0.000000      2.000000
 -0.291667 -0.166667  0.000000      2.000000
  0.333333  0.125000  0.000000      2.000000
  0.208333  0.333333  0.000000      2.000000
 -0.125000  0.208333  0.000000      2.000000
  0.208333 -0.125000  0.000000      2.000000
 -0.125000 -0.333333  0.000000      2.000000
 -0.333333 -0.208333  0.000000      2.000000
  0.375000  0.125000  0.000000      2.000000
  0.250000  0.375000  0.000000      2.000000
 -0.125000  0.250000  0.000000      2.000000
  0.250000 -0.125000  0.000000      2.000000
 -0.125000 -0.375000  0.000000      2.000000
 -0.375000 -0.250000  0.000000      2.000000
  0.416667  0.125000  0.000000      2.000000
  0.291667  0.416667  0.000000      2.000000
 -0.125000  0.291667  0.000000      2.000000
  0.291667 -0.125000  0.000000      2.000000
 -0.125000 -0.416667  0.000000      2.000000
 -0.416667 -0.291667  0.000000      2.000000
  0.458333  0.125000  0.000000      2.000000
  0.333333  0.458333  0.000000      2.000000
 -0.125000  0.333333  0.000000      2.000000
  0.333333 -0.125000  0.000000      2.000000
 -0.125000 -0.458333  0.000000      2.000000
 -0.458333 -0.333333  0.000000      2.000000
  0.500000  0.125000  0.000000      2.000000
  0.375000  0.500000  0.000000      2.000000
 -0.125000  0.375000  0.000000      2.000000
  0.375000 -0.125000  0.000000      2.000000
 -0.125000  0.500000  0.000000      2.000000
  0.500000 -0.375000  0.000000      2.000000
 -0.458333  0.125000  0.000000      2.000000
  0.416667 -0.458333  0.000000      2.000000
 -0.125000  0.416667  0.000000      2.000000
  0.416667 -0.125000  0.000000      2.000000
 -0.125000  0.458333  0.000000      2.000000
  0.458333 -0.416667  0.000000      2.000000
  0.333333  0.166667  0.000000      2.000000
  0.166667  0.333333  0.000000      2.000000
 -0.166667  0.166667  0.000000      2.000000
  0.375000  0.166667  0.000000      2.000000
  0.208333  0.375000  0.000000      2.000000
 -0.166667  0.208333  0.000000      2.000000
  0.208333 -0.166667  0.000000      2.000000
 -0.166667 -0.375000  0.000000      2.000000
 -0.375000 -0.208333  0.000000      2.000000
  0.416667  0.166667  0.000000      2.000000
  0.250000  0.416667  0.000000      2.000000
 -0.166667  0.250000  0.000000      2.000000
  0.250000 -0.166667  0.000000      2.000000
 -0.166667 -0.416667  0.000000      2.000000
 -0.416667 -0.250000  0.000000      2.000000
  0.458333  0.166667  0.000000      2.000000
  0.291667  0.458333  0.000000      2.000000
 -0.166667  0.291667  0.000000      2.000000
  0.291667 -0.166667  0.000000      2.000000
 -0.166667 -0.458333  0.000000      2.000000
 -0.458333 -0.291667  0.000000      2.000000
  0.500000  0.166667  0.000000      2.000000
  0.333333  0.500000  0.000000      2.000000
 -0.166667  0.333333  0.000000      2.000000
  0.333333 -0.166667  0.000000      2.000000
 -0.166667  0.500000  0.000000      2.000000
  0.500000 -0.333333  0.000000      2.000000
 -0.458333  0.166667  0.000000      2.000000
  0.375000 -0.458333  0.000000      2.000000
 -0.166667  0.375000  0.000000      2.000000
  0.375000 -0.166667  0.000000      2.000000
 -0.166667  0.458333  0.000000      2.000000
  0.458333 -0.375000  0.000000      2.000000
 -0.416667  0.166667  0.000000      2.000000
  0.416667 -0.416667  0.000000      2.000000
 -0.166667  0.416667  0.000000      2.000000
  0.416667  0.208333  0.000000      2.000000
  0.208333  0.416667  0.000000      2.000000
 -0.208333  0.208333  0.000000      2.000000
  0.458333  0.208333  0.000000      2.000000
  0.250000  0.458333  0.000000      2.000000
 -0.208333  0.250000  0.000000      2.000000
  0.250000 -0.208333  0.000000      2.000000
 -0.208333 -0.458333  0.000000      2.000000
 -0.458333 -0.250000  0.000000      2.000000
  0.500000  0.208333  0.000000      2.000000
  0.291667  0.500000  0.000000      2.000000
 -0.208333  0.291667  0.000000      2.000000
  0.291667 -0.208333  0.000000      2.000000
 -0.208333  0.500000  0.000000      2.000000
  0.500000 -0.291667  0.000000      2.000000
 -0.458333  0.208333  0.000000      2.000000
  0.333333 -0.458333  0.000000      2.000000
 -0.208333  0.333333  0.000000      2.000000
  0.333333 -0.208333  0.000000      2.000000
 -0.208333  0.458333  0.000000      2.000000
  0.458333 -0.333333  0.000000      2.000000
 -0.416667  0.208333  0.000000      2.000000
  0.375000 -0.416667  0.000000      2.000000
 -0.208333  0.375000  0.000000      2.000000
  0.375000 -0.208333  0.000000      2.000000
 -0.208333  0.416667  0.000000      2.000000
  0.416667 -0.375000  0.000000      2.000000
  0.500000  0.250000  0.000000      2.000000
  0.250000  0.500000  0.000000      2.000000
 -0.250000  0.250000  0.000000      2.000000
 -0.458333  0.250000  0.000000      2.000000
  0.291667 -0.458333  0.000000      2.000000
 -0.250000  0.291667  0.000000      2.000000
  0.291667 -0.250000  0.000000      2.000000
 -0.250000  0.458333  0.000000      2.000000
  0.458333 -0.291667  0.000000      2.000000
 -0.416667  0.250000  0.000000      2.000000
  0.333333 -0.416667  0.000000      2.000000
 -0.250000  0.333333  0.000000      2.000000
  0.333333 -0.250000  0.000000      2.000000
 -0.250000  0.416667  0.000000      2.000000
  0.416667 -0.333333  0.000000      2.000000
 -0.375000  0.250000  0.000000      2.000000
  0.375000 -0.375000  0.000000      2.000000
 -0.250000  0.375000  0.000000      2.000000
 -0.416667  0.291667  0.000000      2.000000
  0.291667 -0.416667  0.000000      2.000000
 -0.291667  0.291667  0.000000      2.000000
 -0.375000  0.291667  0.000000      2.000000
  0.333333 -0.375000  0.000000      2.000000
 -0.291667  0.333333  0.000000      2.000000
  0.333333 -0.291667  0.000000      2.000000
 -0.291667  0.375000  0.000000      2.000000
  0.375000 -0.333333  0.000000      2.000000
 -0.333333  0.333333  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.014582 -0.008419  0.000000      2.000000
  0.014582  0.008419  0.000000      2.000000
  0.000000  0.016838  0.000000      2.000000
  0.029163 -0.016838  0.000000      2.000000
  0.029163  0.016838  0.000000      2.000000
  0.000000  0.033675  0.000000      2.000000
  0.043745 -0.025256  0.000000      2.000000
  0.043745  0.025256  0.000000      2.000000
  0.000000  0.050513  0.000000      2.000000
  0.058327 -0.033675  0.000000      2.000000
  0.058327  0.033675  0.000000      2.000000
  0.000000  0.067350  0.000000      2.000000
  0.072909 -0.042094  0.000000      2.000000
  0.072909  0.042094  0.000000      2.000000
  0.000000  0.084188  0.000000      2.000000
  0.087490 -0.050513  0.000000      2.000000
  0.087490  0.050513  0.000000      2.000000
  0.000000  0.101025  0.000000      2.000000
  0.102072 -0.058931  0.000000      2.000000
  0.102072  0.058931  0.000000      2.000000
  0.000000  0.117863  0.000000      2.000000
  0.116654 -0.067350  0.000000      2.000000
  0.116654  0.067350  0.000000      2.000000
  0.000000  0.134700  0.000000      2.000000
  0.131235 -0.075769  0.000000      2.000000
  0.131235  0.075769  0.000000      2.000000
  0.000000  0.151538  0.000000      2.000000
  0.145817 -0.084188  0.000000      2.000000
  0.145817  0.084188  0.000000      2.000000
  0.000000  0.168375  0.000000      2.000000
  0.160399 -0.092606  0.000000      2.000000
  0.160399  0.092606  0.000000      2.000000
  0.000000  0.185213  0.000000      2.000000
  0.174981 -0.101025  0.000000      1.000000
  0.174981  0.101025  0.000000      1.000000
  0.000000  0.202050  0.000000      1.000000
  0.029163 -0.000000  0.000000      2.000000
  0.014582  0.025256  0.000000      2.000000
 -0.014582  0.025256  0.000000      2.000000
  0.043745 -0.008419  0.000000      2.000000
  0.029163  0.033675  0.000000      2.000000
 -0.014582  0.042094  0.000000      2.000000
  0.029163 -0.033675  0.000000      2.000000
 -0.014582 -0.042094  0.000000      2.000000
 -0.043745 -0.008419  0.000000      2.000000
  0.058327 -0.016838  0.000000      2.000000
  0.043745  0.042094  0.000000      2.000000
 -0.014582  0.058931  0.000000      2.000000
  0.043745 -0.042094  0.000000      2.000000
 -0.014582 -0.058931  0.000000      2.000000
 -0.058327 -0.016838  0.000000      2.000000
  0.072909 -0.025256  0.000000      2.000000
  0.058327  0.050513  0.000000      2.000000
 -0.014582  0.075769  0.000000      2.000000
  0.058327 -0.050513  0.000000      2.000000
 -0.014582 -0.075769  0.000000      2.000000
 -0.072909 -0.025256  0.000000      2.000000
  0.087490 -0.033675  0.000000      2.000000
  0.072909  0.058931  0.000000      2.000000
 -0.014582  0.092606  0.000000      2.000000
  0.072909 -0.058931  0.000000      2.000000
 -0.014582 -0.092606  0.000000      2.000000
 -0.087490 -0.033675  0.000000      2.000000
  0.102072 -0.042094  0.000000      2.000000
  0.087490  0.067350  0.000000      2.000000
 -0.014582  0.109444  0.000000      2.000000
  0.087490 -0.067350  0.000000      2.000000
 -0.014582 -0.109444  0.000000      2.000000
 -0.102072 -0.042094  0.000000      2.000000
  0.116654 -0.050513  0.000000      2.000000
  0.102072  0.075769  0.000000      2.000000
 -0.014582  0.126281  0.000000      2.000000
  0.102072 -0.075769  0.000000      2.000000
 -0.014582 -0.126281  0.000000      2.000000
 -0.116654 -0.050513  0.000000      2.000000
  0.131235 -0.058931  0.000000      2.000000
  0.116654  0.084188  0.000000      2.000000
 -0.014582  0.143119  0.000000      2.000000
  0.116654 -0.084188  0.000000      2.000000
 -0.014582 -0.143119  0.000000      2.000000
 -0.131235 -0.058931  0.000000      2.000000
  0.145817 -0.067350  0.000000      2.000000
  0.131235  0.092606  0.000000      2.000000
 -0.014582  0.159956  0.000000      2.000000
  0.131235 -0.092606  0.000000      2.000000
 -0.014582 -0.159956  0.000000      2.000000
 -0.145817 -0.067350  0.000000      2.000000
  0.160399 -0.075769  0.000000      2.000000
  0.145817  0.101025  0.000000      2.000000
 -0.014582  0.176794  0.000000      2.000000
  0.145817 -0.101025  0.000000      2.000000
 -0.014582 -0.176794  0.000000      2.000000
 -0.160399 -0.075769  0.000000      2.000000
  0.174981 -0.084188  0.000000      2.000000
  0.160399  0.109444  0.000000      2.000000
 -0.014582  0.193631  0.000000      2.000000
  0.160399 -0.109444  0.000000      2.000000
 -0.014582  0.210469  0.000000      2.000000
  0.174981 -0.286238  0.000000      2.000000
  0.058327  0.000000  0.000000      2.000000
  0.029163  0.050513  0.000000      2.000000
 -0.029163  0.050513  0.000000      2.000000
  0.072909 -0.008419  0.000000      2.000000
  0.043745  0.058931  0.000000      2.000000
 -0.029163  0.067350  0.000000      2.000000
  0.043745 -0.058931  0.000000      2.000000
 -0.029163 -0.067350  0.000000      2.000000
 -0.072909 -0.008419  0.000000      2.000000
  0.087490 -0.016838  0.000000      2.000000
  0.058327  0.067350  0.000000      2.000000
 -0.029163  0.084188  0.000000      2.000000
  0.058327 -0.067350  0.000000      2.000000
 -0.029163 -0.084188  0.000000      2.000000
 -0.087490 -0.016838  0.000000      2.000000
  0.102072 -0.025256  0.000000      2.000000
  0.072909  0.075769  0.000000      2.000000
 -0.029163  0.101025  0.000000      2.000000
  0.072909 -0.075769  0.000000      2.000000
 -0.029163 -0.101025  0.000000      2.000000
 -0.102072 -0.025256  0.000000      2.000000
  0.116654 -0.033675  0.000000      2.000000
  0.087490  0.084188  0.000000      2.000000
 -0.029163  0.117863  0.000000      2.000000
  0.087490 -0.084188  0.000000      2.000000
 -0.029163 -0.117863  0.000000      2.000000
 -0.116654 -0.033675  0.000000      2.000000
  0.131235 -0.042094  0.000000      2.000000
  0.102072  0.092606  0.000000      2.000000
 -0.029163  0.134700  0.000000      2.000000
  0.102072 -0.092606  0.000000      2.000000
 -0.029163 -0.134700  0.000000      2.000000
 -0.131235 -0.042094  0.000000      2.000000
  0.145817 -0.050513  0.000000      2.000000
  0.116654  0.101025  0.000000      2.000000
 -0.029163  0.151538  0.000000      2.000000
  0.116654 -0.101025  0.000000      2.000000
 -0.029163 -0.151538  0.000000      2.000000
 -0.145817 -0.050513  0.000000      2.000000
  0.160399 -0.058931  0.000000      2.000000
  0.131235  0.109444  0.000000      2.000000
 -0.029163  0.168375  0.000000      2.000000
  0.131235 -0.109444  0.000000      2.000000
 -0.029163 -0.168375  0.000000      2.000000
 -0.160399 -0.058931  0.000000      2.000000
  0.174981 -0.067350  0.000000      2.000000
  0.145817  0.117863  0.000000      2.000000
 -0.029163  0.185213  0.000000      2.000000
  0.145817 -0.117863  0.000000      2.000000
 -0.029163  0.218888  0.000000      2.000000
  0.174981 -0.269400  0.000000      2.000000
 -0.160399  0.126281  0.000000      2.000000
  0.160399 -0.277819  0.000000      2.000000
 -0.029163  0.202050  0.000000      2.000000
  0.087490  0.000000  0.000000      2.000000
  0.043745  0.075769  0.000000      2.000000
 -0.043745  0.075769  0.000000      2.000000
  0.102072 -0.008419  0.000000      2.000000
  0.058327  0.084188  0.000000      2.000000
 -0.043745  0.092606  0.000000      2.000000
  0.058327 -0.084188  0.000000      2.000000
 -0.043745 -0.092606  0.000000      2.000000
 -0.102072 -0.008419  0.000000      2.000000
  0.116654 -0.016838  0.000000      2.000000
  0.072909  0.092606  0.000000      2.000000
 -0.043745  0.109444  0.000000      2.000000
  0.072909 -0.092606  0.000000      2.000000
 -0.043745 -0.109444  0.000000      2.000000
 -0.116654 -0.016838  0.000000      2.000000
  0.131235 -0.025256  0.000000      2.000000
  0.087490  0.101025  0.000000      2.000000
 -0.043745  0.126281  0.000000      2.000000
  0.087490 -0.101025  0.000000      2.000000
 -0.043745 -0.126281  0.000000      2.000000
 -0.131235 -0.025256  0.000000      2.000000
  0.145817 -0.033675  0.000000      2.000000
  0.102072  0.109444  0.000000      2.000000
 -0.043745  0.143119  0.000000      2.000000
  0.102072 -0.109444  0.000000      2.000000
 -0.043745 -0.143119  0.000000      2.000000
 -0.145817 -0.033675  0.000000      2.000000
  0.160399 -0.042094  0.000000      2.000000
  0.116654  0.117863  0.000000      2.000000
 -0.043745  0.159956  0.000000      2.000000
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 -0.043745 -0.159956  0.000000      2.000000
 -0.160399 -0.042094  0.000000      2.000000
  0.174981 -0.050513  0.000000      2.000000
  0.131235  0.126281  0.000000      2.000000
 -0.043745  0.176794  0.000000      2.000000
  0.131235 -0.126281  0.000000      2.000000
 -0.043745  0.227306  0.000000      2.000000
  0.174981 -0.252563  0.000000      2.000000
 -0.160399  0.143119  0.000000      2.000000
  0.145817 -0.269400  0.000000      2.000000
 -0.043745  0.193631  0.000000      2.000000
  0.145817 -0.134700  0.000000      2.000000
 -0.043745  0.210469  0.000000      2.000000
  0.160399 -0.260981  0.000000      2.000000
  0.116654 -0.000000  0.000000      2.000000
  0.058327  0.101025  0.000000      2.000000
 -0.058327  0.101025  0.000000      2.000000
  0.131235 -0.008419  0.000000      2.000000
  0.072909  0.109444  0.000000      2.000000
 -0.058327  0.117863  0.000000      2.000000
  0.072909 -0.109444  0.000000      2.000000
 -0.058327 -0.117863  0.000000      2.000000
 -0.131235 -0.008419  0.000000      2.000000
  0.145817 -0.016838  0.000000      2.000000
  0.087490  0.117863  0.000000      2.000000
 -0.058327  0.134700  0.000000      2.000000
  0.087490 -0.117863  0.000000      2.000000
 -0.058327 -0.134700  0.000000      2.000000
 -0.145817 -0.016838  0.000000      2.000000
  0.160399 -0.025256  0.000000      2.000000
  0.102072  0.126281  0.000000      2.000000
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 -0.058327 -0.151538  0.000000      2.000000
 -0.160399 -0.025256  0.000000      2.000000
  0.174981 -0.033675  0.000000      2.000000
  0.116654  0.134700  0.000000      2.000000
 -0.058327  0.168375  0.000000      2.000000
  0.116654 -0.134700  0.000000      2.000000
 -0.058327  0.235725  0.000000      2.000000
  0.174981 -0.235725  0.000000      2.000000
 -0.160399  0.159956  0.000000      2.000000
  0.131235 -0.260981  0.000000      2.000000
 -0.058327  0.185213  0.000000      2.000000
  0.131235 -0.143119  0.000000      2.000000
 -0.058327  0.218888  0.000000      2.000000
  0.160399 -0.244144  0.000000      2.000000
 -0.145817  0.151538  0.000000      2.000000
  0.145817 -0.252563  0.000000      2.000000
 -0.058327  0.202050  0.000000      2.000000
  0.145817  0.000000  0.000000      2.000000
  0.072909  0.126281  0.000000      2.000000
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  0.160399 -0.008419  0.000000      2.000000
  0.087490  0.134700  0.000000      2.000000
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  0.087490 -0.134700  0.000000      2.000000
 -0.072909 -0.143119  0.000000      2.000000
 -0.160399 -0.008419  0.000000      2.000000
  0.174981 -0.016838  0.000000      2.000000
  0.102072  0.143119  0.000000      2.000000
 -0.072909  0.159956  0.000000      2.000000
  0.102072 -0.143119  0.000000      2.000000
 -0.072909  0.244144  0.000000      2.000000
  0.174981 -0.218888  0.000000      2.000000
 -0.160399  0.176794  0.000000      2.000000
  0.116654 -0.252563  0.000000      2.000000
 -0.072909  0.176794  0.000000      2.000000
  0.116654 -0.151538  0.000000      2.000000
 -0.072909  0.227306  0.000000      2.000000
  0.160399 -0.227306  0.000000      2.000000
 -0.145817  0.168375  0.000000      2.000000
  0.131235 -0.244144  0.000000      2.000000
 -0.072909  0.193631  0.000000      2.000000
  0.131235 -0.159956  0.000000      2.000000
 -0.072909  0.210469  0.000000      2.000000
  0.145817 -0.235725  0.000000      2.000000
  0.174981  0.000000  0.000000      2.000000
  0.087490  0.151538  0.000000      2.000000
 -0.087490  0.151538  0.000000      2.000000
 -0.160399  0.193631  0.000000      2.000000
  0.102072 -0.244144  0.000000      2.000000
 -0.087490  0.168375  0.000000      2.000000
  0.102072 -0.159956  0.000000      2.000000
 -0.087490  0.235725  0.000000      2.000000
  0.160399 -0.210469  0.000000      2.000000
 -0.145817  0.185213  0.000000      2.000000
  0.116654 -0.235725  0.000000      2.000000
 -0.087490  0.185213  0.000000      2.000000
  0.116654 -0.168375  0.000000      2.000000
 -0.087490  0.218888  0.000000      2.000000
  0.145817 -0.218888  0.000000      2.000000
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  0.131235 -0.227306  0.000000      2.000000
 -0.087490  0.202050  0.000000      2.000000
 -0.145817  0.202050  0.000000      2.000000
  0.102072 -0.227306  0.000000      2.000000
 -0.102072  0.176794  0.000000      2.000000
 -0.131235  0.193631  0.000000      2.000000
  0.116654 -0.218888  0.000000      2.000000
 -0.102072  0.193631  0.000000      2.000000
  0.116654 -0.185213  0.000000      2.000000
 -0.102072  0.210469  0.000000      2.000000
  0.131235 -0.210469  0.000000      2.000000
 -0.116654  0.202050  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    576 k-points in 1st BZ
 the following    576 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00173611   1 t-inv F
  0.041667 -0.000000  0.000000    0.00173611   2 t-inv F
  0.041667  0.041667  0.000000    0.00173611   3 t-inv F
  0.000000  0.041667  0.000000    0.00173611   4 t-inv F
  0.083333  0.000000  0.000000    0.00173611   5 t-inv F
  0.083333  0.083333  0.000000    0.00173611   6 t-inv F
  0.000000  0.083333  0.000000    0.00173611   7 t-inv F
  0.125000  0.000000  0.000000    0.00173611   8 t-inv F
  0.125000  0.125000  0.000000    0.00173611   9 t-inv F
  0.000000  0.125000  0.000000    0.00173611  10 t-inv F
  0.166667 -0.000000  0.000000    0.00173611  11 t-inv F
  0.166667  0.166667  0.000000    0.00173611  12 t-inv F
  0.000000  0.166667  0.000000    0.00173611  13 t-inv F
  0.208333  0.000000  0.000000    0.00173611  14 t-inv F
  0.208333  0.208333  0.000000    0.00173611  15 t-inv F
  0.000000  0.208333  0.000000    0.00173611  16 t-inv F
  0.250000  0.000000  0.000000    0.00173611  17 t-inv F
  0.250000  0.250000  0.000000    0.00173611  18 t-inv F
  0.000000  0.250000  0.000000    0.00173611  19 t-inv F
  0.291667  0.000000  0.000000    0.00173611  20 t-inv F
  0.291667  0.291667  0.000000    0.00173611  21 t-inv F
  0.000000  0.291667  0.000000    0.00173611  22 t-inv F
  0.333333  0.000000  0.000000    0.00173611  23 t-inv F
  0.333333  0.333333  0.000000    0.00173611  24 t-inv F
  0.000000  0.333333  0.000000    0.00173611  25 t-inv F
  0.375000  0.000000  0.000000    0.00173611  26 t-inv F
  0.375000  0.375000  0.000000    0.00173611  27 t-inv F
  0.000000  0.375000  0.000000    0.00173611  28 t-inv F
  0.416667  0.000000  0.000000    0.00173611  29 t-inv F
  0.416667  0.416667  0.000000    0.00173611  30 t-inv F
  0.000000  0.416667  0.000000    0.00173611  31 t-inv F
  0.458333  0.000000  0.000000    0.00173611  32 t-inv F
  0.458333  0.458333  0.000000    0.00173611  33 t-inv F
  0.000000  0.458333  0.000000    0.00173611  34 t-inv F
  0.500000  0.000000  0.000000    0.00173611  35 t-inv F
  0.500000  0.500000  0.000000    0.00173611  36 t-inv F
  0.000000  0.500000  0.000000    0.00173611  37 t-inv F
  0.083333  0.041667  0.000000    0.00173611  38 t-inv F
  0.041667  0.083333  0.000000    0.00173611  39 t-inv F
 -0.041667  0.041667  0.000000    0.00173611  40 t-inv F
  0.125000  0.041667  0.000000    0.00173611  41 t-inv F
  0.083333  0.125000  0.000000    0.00173611  42 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    290   k-points in BZ     NKDIM =    576   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  57600
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 115473
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  144
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  288
   support grid    NGXF=    80 NGYF=   80 NGZF=  576
   ions per type =               4
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.88 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.76 a.u.

 SYSTEM =  Al Lattice Relaxation  HSE06-1/2x vdW-DF
 POSCAR =  Al                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   4.66  4.66 35.88*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   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 = -.5E-02   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    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 = 0.13E+47 mass=  -0.187E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      12.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     53    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.21E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      38.89       262.44
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.696897  1.316944  6.607878  0.485665
  Thomas-Fermi vector in A             =   1.780074
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    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
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   FOCKCORR=     1    mode to apply convergence corrections
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=  -1    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    0.5000 exact exchange contribution
   HFSCREEN=    0.2000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.2000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.5000 LDA exchange part
   AGGAX   =    0.5000 GGA exchange part
   ALDAC   =    1.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC

 vdW DFT:
   LUSE_VDW   =     T    switch on vdW DFT
   Zab_VDW    =******    correlation parameter
   PARAM1     =0.1234
   PARAM2     =1.0000
   PARAM3     =0.0000
   -- rVV10 --
   BPARAM     = 6.3000
   CPARAM     = 0.0093

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



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


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            6
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.01458172 -0.00841876  0.00000000       0.003
   0.01458172  0.00841876  0.00000000       0.003
   0.00000000  0.01683752  0.00000000       0.003
   0.02916343 -0.01683752  0.00000000       0.003
   0.02916343  0.01683752  0.00000000       0.003
   0.00000000  0.03367503  0.00000000       0.003
   0.04374515 -0.02525627  0.00000000       0.003
   0.04374515  0.02525627  0.00000000       0.003
   0.00000000  0.05051255  0.00000000       0.003
   0.05832686 -0.03367503  0.00000000       0.003
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   0.00000000  0.06735006  0.00000000       0.003
   0.07290858 -0.04209379  0.00000000       0.003
   0.07290858  0.04209379  0.00000000       0.003
   0.00000000  0.08418758  0.00000000       0.003
   0.08749030 -0.05051255  0.00000000       0.003
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   0.00000000  0.10102509  0.00000000       0.003
   0.10207201 -0.05893130  0.00000000       0.003
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   0.00000000  0.11786261  0.00000000       0.003
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   0.00000000  0.13470012  0.00000000       0.003
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   0.02916343  0.03367503  0.00000000       0.003
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   0.11665373 -0.25256273  0.00000000       0.003
  -0.07290858  0.17679391  0.00000000       0.003
   0.11665373 -0.15153764  0.00000000       0.003
  -0.07290858  0.22730646  0.00000000       0.003
   0.16039888 -0.22730646  0.00000000       0.003
  -0.14581716  0.16837515  0.00000000       0.003
   0.13123544 -0.24414397  0.00000000       0.003
  -0.07290858  0.19363143  0.00000000       0.003
   0.13123544 -0.15995639  0.00000000       0.003
  -0.07290858  0.21046894  0.00000000       0.003
   0.14581716 -0.23572521  0.00000000       0.003
   0.17498059  0.00000000  0.00000000       0.003
   0.08749030  0.15153764  0.00000000       0.003
  -0.08749030  0.15153764  0.00000000       0.003
  -0.16039888  0.19363143  0.00000000       0.003
   0.10207201 -0.24414397  0.00000000       0.003
  -0.08749030  0.16837515  0.00000000       0.003
   0.10207201 -0.15995639  0.00000000       0.003
  -0.08749030  0.23572521  0.00000000       0.003
   0.16039888 -0.21046894  0.00000000       0.003
  -0.14581716  0.18521267  0.00000000       0.003
   0.11665373 -0.23572521  0.00000000       0.003
  -0.08749030  0.18521267  0.00000000       0.003
   0.11665373 -0.16837515  0.00000000       0.003
  -0.08749030  0.21888770  0.00000000       0.003
   0.14581716 -0.21888770  0.00000000       0.003
  -0.13123544  0.17679391  0.00000000       0.003
   0.13123544 -0.22730646  0.00000000       0.003
  -0.08749030  0.20205018  0.00000000       0.003
  -0.14581716  0.20205018  0.00000000       0.003
   0.10207201 -0.22730646  0.00000000       0.003
  -0.10207201  0.17679391  0.00000000       0.003
  -0.13123544  0.19363143  0.00000000       0.003
   0.11665373 -0.21888770  0.00000000       0.003
  -0.10207201  0.19363143  0.00000000       0.003
   0.11665373 -0.18521267  0.00000000       0.003
  -0.10207201  0.21046894  0.00000000       0.003
   0.13123544 -0.21046894  0.00000000       0.003
  -0.11665373  0.20205018  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.04166667 -0.00000000  0.00000000       0.003
   0.04166667  0.04166667  0.00000000       0.003
   0.00000000  0.04166667  0.00000000       0.003
   0.08333333  0.00000000  0.00000000       0.003
   0.08333333  0.08333333  0.00000000       0.003
   0.00000000  0.08333333  0.00000000       0.003
   0.12500000  0.00000000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.003
   0.00000000  0.12500000  0.00000000       0.003
   0.16666667 -0.00000000  0.00000000       0.003
   0.16666667  0.16666667  0.00000000       0.003
   0.00000000  0.16666667  0.00000000       0.003
   0.20833333  0.00000000  0.00000000       0.003
   0.20833333  0.20833333  0.00000000       0.003
   0.00000000  0.20833333  0.00000000       0.003
   0.25000000  0.00000000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.003
   0.00000000  0.25000000  0.00000000       0.003
   0.29166667  0.00000000  0.00000000       0.003
   0.29166667  0.29166667  0.00000000       0.003
   0.00000000  0.29166667  0.00000000       0.003
   0.33333333  0.00000000  0.00000000       0.003
   0.33333333  0.33333333  0.00000000       0.003
   0.00000000  0.33333333  0.00000000       0.003
   0.37500000  0.00000000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.003
   0.00000000  0.37500000  0.00000000       0.003
   0.41666667  0.00000000  0.00000000       0.003
   0.41666667  0.41666667  0.00000000       0.003
   0.00000000  0.41666667  0.00000000       0.003
   0.45833333  0.00000000  0.00000000       0.003
   0.45833333  0.45833333  0.00000000       0.003
   0.00000000  0.45833333  0.00000000       0.003
   0.50000000  0.00000000  0.00000000       0.002
   0.50000000  0.50000000  0.00000000       0.002
   0.00000000  0.50000000  0.00000000       0.002
   0.08333333  0.04166667  0.00000000       0.003
   0.04166667  0.08333333  0.00000000       0.003
  -0.04166667  0.04166667  0.00000000       0.003
   0.12500000  0.04166667  0.00000000       0.003
   0.08333333  0.12500000  0.00000000       0.003
  -0.04166667  0.08333333  0.00000000       0.003
   0.08333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.08333333  0.00000000       0.003
   0.16666667  0.04166667  0.00000000       0.003
   0.12500000  0.16666667  0.00000000       0.003
  -0.04166667  0.12500000  0.00000000       0.003
   0.12500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.12500000  0.00000000       0.003
   0.20833333  0.04166667  0.00000000       0.003
   0.16666667  0.20833333  0.00000000       0.003
  -0.04166667  0.16666667  0.00000000       0.003
   0.16666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.20833333  0.00000000       0.003
  -0.20833333 -0.16666667  0.00000000       0.003
   0.25000000  0.04166667  0.00000000       0.003
   0.20833333  0.25000000  0.00000000       0.003
  -0.04166667  0.20833333  0.00000000       0.003
   0.20833333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.25000000  0.00000000       0.003
  -0.25000000 -0.20833333  0.00000000       0.003
   0.29166667  0.04166667  0.00000000       0.003
   0.25000000  0.29166667  0.00000000       0.003
  -0.04166667  0.25000000  0.00000000       0.003
   0.25000000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.29166667  0.00000000       0.003
  -0.29166667 -0.25000000  0.00000000       0.003
   0.33333333  0.04166667  0.00000000       0.003
   0.29166667  0.33333333  0.00000000       0.003
  -0.04166667  0.29166667  0.00000000       0.003
   0.29166667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.33333333  0.00000000       0.003
  -0.33333333 -0.29166667  0.00000000       0.003
   0.37500000  0.04166667  0.00000000       0.003
   0.33333333  0.37500000  0.00000000       0.003
  -0.04166667  0.33333333  0.00000000       0.003
   0.33333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.33333333  0.00000000       0.003
   0.41666667  0.04166667  0.00000000       0.003
   0.37500000  0.41666667  0.00000000       0.003
  -0.04166667  0.37500000  0.00000000       0.003
   0.37500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.37500000  0.00000000       0.003
   0.45833333  0.04166667  0.00000000       0.003
   0.41666667  0.45833333  0.00000000       0.003
  -0.04166667  0.41666667  0.00000000       0.003
   0.41666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.41666667  0.00000000       0.003
   0.50000000  0.04166667  0.00000000       0.003
   0.45833333  0.50000000  0.00000000       0.003
  -0.04166667  0.45833333  0.00000000       0.003
   0.45833333 -0.04166667  0.00000000       0.003
  -0.04166667  0.50000000  0.00000000       0.003
   0.50000000 -0.45833333  0.00000000       0.003
   0.16666667  0.08333333  0.00000000       0.003
   0.08333333  0.16666667  0.00000000       0.003
  -0.08333333  0.08333333  0.00000000       0.003
   0.20833333  0.08333333  0.00000000       0.003
   0.12500000  0.20833333  0.00000000       0.003
  -0.08333333  0.12500000  0.00000000       0.003
   0.12500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.20833333  0.00000000       0.003
  -0.20833333 -0.12500000  0.00000000       0.003
   0.25000000  0.08333333  0.00000000       0.003
   0.16666667  0.25000000  0.00000000       0.003
  -0.08333333  0.16666667  0.00000000       0.003
   0.16666667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.25000000  0.00000000       0.003
  -0.25000000 -0.16666667  0.00000000       0.003
   0.29166667  0.08333333  0.00000000       0.003
   0.20833333  0.29166667  0.00000000       0.003
  -0.08333333  0.20833333  0.00000000       0.003
   0.20833333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.29166667  0.00000000       0.003
  -0.29166667 -0.20833333  0.00000000       0.003
   0.33333333  0.08333333  0.00000000       0.003
   0.25000000  0.33333333  0.00000000       0.003
  -0.08333333  0.25000000  0.00000000       0.003
   0.25000000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.33333333  0.00000000       0.003
  -0.33333333 -0.25000000  0.00000000       0.003
   0.37500000  0.08333333  0.00000000       0.003
   0.29166667  0.37500000  0.00000000       0.003
  -0.08333333  0.29166667  0.00000000       0.003
   0.29166667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.37500000  0.00000000       0.003
  -0.37500000 -0.29166667  0.00000000       0.003
   0.41666667  0.08333333  0.00000000       0.003
   0.33333333  0.41666667  0.00000000       0.003
  -0.08333333  0.33333333  0.00000000       0.003
   0.33333333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.41666667  0.00000000       0.003
  -0.41666667 -0.33333333  0.00000000       0.003
   0.45833333  0.08333333  0.00000000       0.003
   0.37500000  0.45833333  0.00000000       0.003
  -0.08333333  0.37500000  0.00000000       0.003
   0.37500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.37500000  0.00000000       0.003
   0.50000000  0.08333333  0.00000000       0.003
   0.41666667  0.50000000  0.00000000       0.003
  -0.08333333  0.41666667  0.00000000       0.003
   0.41666667 -0.08333333  0.00000000       0.003
  -0.08333333  0.50000000  0.00000000       0.003
   0.50000000 -0.41666667  0.00000000       0.003
  -0.45833333  0.08333333  0.00000000       0.003
   0.45833333 -0.45833333  0.00000000       0.003
  -0.08333333  0.45833333  0.00000000       0.003
   0.25000000  0.12500000  0.00000000       0.003
   0.12500000  0.25000000  0.00000000       0.003
  -0.12500000  0.12500000  0.00000000       0.003
   0.29166667  0.12500000  0.00000000       0.003
   0.16666667  0.29166667  0.00000000       0.003
  -0.12500000  0.16666667  0.00000000       0.003
   0.16666667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.29166667  0.00000000       0.003
  -0.29166667 -0.16666667  0.00000000       0.003
   0.33333333  0.12500000  0.00000000       0.003
   0.20833333  0.33333333  0.00000000       0.003
  -0.12500000  0.20833333  0.00000000       0.003
   0.20833333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.33333333  0.00000000       0.003
  -0.33333333 -0.20833333  0.00000000       0.003
   0.37500000  0.12500000  0.00000000       0.003
   0.25000000  0.37500000  0.00000000       0.003
  -0.12500000  0.25000000  0.00000000       0.003
   0.25000000 -0.12500000  0.00000000       0.003
  -0.12500000 -0.37500000  0.00000000       0.003
  -0.37500000 -0.25000000  0.00000000       0.003
   0.41666667  0.12500000  0.00000000       0.003
   0.29166667  0.41666667  0.00000000       0.003
  -0.12500000  0.29166667  0.00000000       0.003
   0.29166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.41666667  0.00000000       0.003
  -0.41666667 -0.29166667  0.00000000       0.003
   0.45833333  0.12500000  0.00000000       0.003
   0.33333333  0.45833333  0.00000000       0.003
  -0.12500000  0.33333333  0.00000000       0.003
   0.33333333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.45833333  0.00000000       0.003
  -0.45833333 -0.33333333  0.00000000       0.003
   0.50000000  0.12500000  0.00000000       0.003
   0.37500000  0.50000000  0.00000000       0.003
  -0.12500000  0.37500000  0.00000000       0.003
   0.37500000 -0.12500000  0.00000000       0.003
  -0.12500000  0.50000000  0.00000000       0.003
   0.50000000 -0.37500000  0.00000000       0.003
  -0.45833333  0.12500000  0.00000000       0.003
   0.41666667 -0.45833333  0.00000000       0.003
  -0.12500000  0.41666667  0.00000000       0.003
   0.41666667 -0.12500000  0.00000000       0.003
  -0.12500000  0.45833333  0.00000000       0.003
   0.45833333 -0.41666667  0.00000000       0.003
   0.33333333  0.16666667  0.00000000       0.003
   0.16666667  0.33333333  0.00000000       0.003
  -0.16666667  0.16666667  0.00000000       0.003
   0.37500000  0.16666667  0.00000000       0.003
   0.20833333  0.37500000  0.00000000       0.003
  -0.16666667  0.20833333  0.00000000       0.003
   0.20833333 -0.16666667  0.00000000       0.003
  -0.16666667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.20833333  0.00000000       0.003
   0.41666667  0.16666667  0.00000000       0.003
   0.25000000  0.41666667  0.00000000       0.003
  -0.16666667  0.25000000  0.00000000       0.003
   0.25000000 -0.16666667  0.00000000       0.003
  -0.16666667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.25000000  0.00000000       0.003
   0.45833333  0.16666667  0.00000000       0.003
   0.29166667  0.45833333  0.00000000       0.003
  -0.16666667  0.29166667  0.00000000       0.003
   0.29166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.29166667  0.00000000       0.003
   0.50000000  0.16666667  0.00000000       0.003
   0.33333333  0.50000000  0.00000000       0.003
  -0.16666667  0.33333333  0.00000000       0.003
   0.33333333 -0.16666667  0.00000000       0.003
  -0.16666667  0.50000000  0.00000000       0.003
   0.50000000 -0.33333333  0.00000000       0.003
  -0.45833333  0.16666667  0.00000000       0.003
   0.37500000 -0.45833333  0.00000000       0.003
  -0.16666667  0.37500000  0.00000000       0.003
   0.37500000 -0.16666667  0.00000000       0.003
  -0.16666667  0.45833333  0.00000000       0.003
   0.45833333 -0.37500000  0.00000000       0.003
  -0.41666667  0.16666667  0.00000000       0.003
   0.41666667 -0.41666667  0.00000000       0.003
  -0.16666667  0.41666667  0.00000000       0.003
   0.41666667  0.20833333  0.00000000       0.003
   0.20833333  0.41666667  0.00000000       0.003
  -0.20833333  0.20833333  0.00000000       0.003
   0.45833333  0.20833333  0.00000000       0.003
   0.25000000  0.45833333  0.00000000       0.003
  -0.20833333  0.25000000  0.00000000       0.003
   0.25000000 -0.20833333  0.00000000       0.003
  -0.20833333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.25000000  0.00000000       0.003
   0.50000000  0.20833333  0.00000000       0.003
   0.29166667  0.50000000  0.00000000       0.003
  -0.20833333  0.29166667  0.00000000       0.003
   0.29166667 -0.20833333  0.00000000       0.003
  -0.20833333  0.50000000  0.00000000       0.003
   0.50000000 -0.29166667  0.00000000       0.003
  -0.45833333  0.20833333  0.00000000       0.003
   0.33333333 -0.45833333  0.00000000       0.003
  -0.20833333  0.33333333  0.00000000       0.003
   0.33333333 -0.20833333  0.00000000       0.003
  -0.20833333  0.45833333  0.00000000       0.003
   0.45833333 -0.33333333  0.00000000       0.003
  -0.41666667  0.20833333  0.00000000       0.003
   0.37500000 -0.41666667  0.00000000       0.003
  -0.20833333  0.37500000  0.00000000       0.003
   0.37500000 -0.20833333  0.00000000       0.003
  -0.20833333  0.41666667  0.00000000       0.003
   0.41666667 -0.37500000  0.00000000       0.003
   0.50000000  0.25000000  0.00000000       0.003
   0.25000000  0.50000000  0.00000000       0.003
  -0.25000000  0.25000000  0.00000000       0.003
  -0.45833333  0.25000000  0.00000000       0.003
   0.29166667 -0.45833333  0.00000000       0.003
  -0.25000000  0.29166667  0.00000000       0.003
   0.29166667 -0.25000000  0.00000000       0.003
  -0.25000000  0.45833333  0.00000000       0.003
   0.45833333 -0.29166667  0.00000000       0.003
  -0.41666667  0.25000000  0.00000000       0.003
   0.33333333 -0.41666667  0.00000000       0.003
  -0.25000000  0.33333333  0.00000000       0.003
   0.33333333 -0.25000000  0.00000000       0.003
  -0.25000000  0.41666667  0.00000000       0.003
   0.41666667 -0.33333333  0.00000000       0.003
  -0.37500000  0.25000000  0.00000000       0.003
   0.37500000 -0.37500000  0.00000000       0.003
  -0.25000000  0.37500000  0.00000000       0.003
  -0.41666667  0.29166667  0.00000000       0.003
   0.29166667 -0.41666667  0.00000000       0.003
  -0.29166667  0.29166667  0.00000000       0.003
  -0.37500000  0.29166667  0.00000000       0.003
   0.33333333 -0.37500000  0.00000000       0.003
  -0.29166667  0.33333333  0.00000000       0.003
   0.33333333 -0.29166667  0.00000000       0.003
  -0.29166667  0.37500000  0.00000000       0.003
   0.37500000 -0.33333333  0.00000000       0.003
  -0.33333333  0.33333333  0.00000000       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.33333333  0.33333333  0.10605356
   0.66666667  0.66666667  0.21210713
   0.00000000  0.00000000  0.31588790
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.42872988  0.82487758  2.33310613
   2.85745977  1.64975517  4.66621226
   0.00000000  0.00000000  6.94931839
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2867
 k-point   2 :   0.0417-0.0000 0.0000  plane waves:    2842
 k-point   3 :   0.0417 0.0417 0.0000  plane waves:    2842
 k-point   4 :   0.0000 0.0417 0.0000  plane waves:    2842
 k-point   5 :   0.0833 0.0000 0.0000  plane waves:    2836
 k-point   6 :   0.0833 0.0833 0.0000  plane waves:    2836
 k-point   7 :   0.0000 0.0833 0.0000  plane waves:    2836
 k-point   8 :   0.1250 0.0000 0.0000  plane waves:    2834
 k-point   9 :   0.1250 0.1250 0.0000  plane waves:    2834
 k-point  10 :   0.0000 0.1250 0.0000  plane waves:    2834
 k-point  11 :   0.1667-0.0000 0.0000  plane waves:    2840
 k-point  12 :   0.1667 0.1667 0.0000  plane waves:    2840
 k-point  13 :   0.0000 0.1667 0.0000  plane waves:    2840
 k-point  14 :   0.2083 0.0000 0.0000  plane waves:    2842
 k-point  15 :   0.2083 0.2083 0.0000  plane waves:    2842
 k-point  16 :   0.0000 0.2083 0.0000  plane waves:    2842
 k-point  17 :   0.2500 0.0000 0.0000  plane waves:    2840
 k-point  18 :   0.2500 0.2500 0.0000  plane waves:    2840
 k-point  19 :   0.0000 0.2500 0.0000  plane waves:    2840
 k-point  20 :   0.2917 0.0000 0.0000  plane waves:    2838
 k-point  21 :   0.2917 0.2917 0.0000  plane waves:    2838
 k-point  22 :   0.0000 0.2917 0.0000  plane waves:    2838
 k-point  23 :   0.3333 0.0000 0.0000  plane waves:    2834
 k-point  24 :   0.3333 0.3333 0.0000  plane waves:    2834
 k-point  25 :   0.0000 0.3333 0.0000  plane waves:    2834
 k-point  26 :   0.3750 0.0000 0.0000  plane waves:    2834
 k-point  27 :   0.3750 0.3750 0.0000  plane waves:    2834
 k-point  28 :   0.0000 0.3750 0.0000  plane waves:    2834
 k-point  29 :   0.4167 0.0000 0.0000  plane waves:    2828
 k-point  30 :   0.4167 0.4167 0.0000  plane waves:    2828
 k-point  31 :   0.0000 0.4167 0.0000  plane waves:    2828
 k-point  32 :   0.4583 0.0000 0.0000  plane waves:    2828
 k-point  33 :   0.4583 0.4583 0.0000  plane waves:    2828
 k-point  34 :   0.0000 0.4583 0.0000  plane waves:    2828
 k-point  35 :   0.5000 0.0000 0.0000  plane waves:    2824
 k-point  36 :   0.5000 0.5000 0.0000  plane waves:    2824
 k-point  37 :   0.0000 0.5000 0.0000  plane waves:    2824
 k-point  38 :   0.0833 0.0417 0.0000  plane waves:    2833
 k-point  39 :   0.0417 0.0833 0.0000  plane waves:    2833
 k-point  40 :  -0.0417 0.0417 0.0000  plane waves:    2833
 k-point  41 :   0.1250 0.0417 0.0000  plane waves:    2835
 k-point  42 :   0.0833 0.1250 0.0000  plane waves:    2835
 k-point  43 :  -0.0417 0.0833 0.0000  plane waves:    2835
 k-point  44 :   0.0833-0.0417 0.0000  plane waves:    2835
 k-point  45 :  -0.0417-0.1250 0.0000  plane waves:    2835
 k-point  46 :  -0.1250-0.0833 0.0000  plane waves:    2835
 k-point  47 :   0.1667 0.0417 0.0000  plane waves:    2838
 k-point  48 :   0.1250 0.1667 0.0000  plane waves:    2838
 k-point  49 :  -0.0417 0.1250 0.0000  plane waves:    2838
 k-point  50 :   0.1250-0.0417 0.0000  plane waves:    2838
 k-point  51 :  -0.0417-0.1667 0.0000  plane waves:    2838
 k-point  52 :  -0.1667-0.1250 0.0000  plane waves:    2838
 k-point  53 :   0.2083 0.0417 0.0000  plane waves:    2840
 k-point  54 :   0.1667 0.2083 0.0000  plane waves:    2840
 k-point  55 :  -0.0417 0.1667 0.0000  plane waves:    2840
 k-point  56 :   0.1667-0.0417 0.0000  plane waves:    2840
 k-point  57 :  -0.0417-0.2083 0.0000  plane waves:    2840
 k-point  58 :  -0.2083-0.1667 0.0000  plane waves:    2840
 k-point  59 :   0.2500 0.0417 0.0000  plane waves:    2844
 k-point  60 :   0.2083 0.2500 0.0000  plane waves:    2844
 k-point  61 :  -0.0417 0.2083 0.0000  plane waves:    2844
 k-point  62 :   0.2083-0.0417 0.0000  plane waves:    2844
 k-point  63 :  -0.0417-0.2500 0.0000  plane waves:    2844
 k-point  64 :  -0.2500-0.2083 0.0000  plane waves:    2844
 k-point  65 :   0.2917 0.0417 0.0000  plane waves:    2836
 k-point  66 :   0.2500 0.2917 0.0000  plane waves:    2836
 k-point  67 :  -0.0417 0.2500 0.0000  plane waves:    2836
 k-point  68 :   0.2500-0.0417 0.0000  plane waves:    2836
 k-point  69 :  -0.0417-0.2917 0.0000  plane waves:    2836
 k-point  70 :  -0.2917-0.2500 0.0000  plane waves:    2836
 k-point  71 :   0.3333 0.0417 0.0000  plane waves:    2826
 k-point  72 :   0.2917 0.3333 0.0000  plane waves:    2826
 k-point  73 :  -0.0417 0.2917 0.0000  plane waves:    2826
 k-point  74 :   0.2917-0.0417 0.0000  plane waves:    2826
 k-point  75 :  -0.0417-0.3333 0.0000  plane waves:    2826
 k-point  76 :  -0.3333-0.2917 0.0000  plane waves:    2826
 k-point  77 :   0.3750 0.0417 0.0000  plane waves:    2833
 k-point  78 :   0.3333 0.3750 0.0000  plane waves:    2833
 k-point  79 :  -0.0417 0.3333 0.0000  plane waves:    2833
 k-point  80 :   0.3333-0.0417 0.0000  plane waves:    2833
 k-point  81 :  -0.0417-0.3750 0.0000  plane waves:    2833
 k-point  82 :  -0.3750-0.3333 0.0000  plane waves:    2833
 k-point  83 :   0.4167 0.0417 0.0000  plane waves:    2829
 k-point  84 :   0.3750 0.4167 0.0000  plane waves:    2829
 k-point  85 :  -0.0417 0.3750 0.0000  plane waves:    2829
 k-point  86 :   0.3750-0.0417 0.0000  plane waves:    2829
 k-point  87 :  -0.0417-0.4167 0.0000  plane waves:    2829
 k-point  88 :  -0.4167-0.3750 0.0000  plane waves:    2829
 k-point  89 :   0.4583 0.0417 0.0000  plane waves:    2824
 k-point  90 :   0.4167 0.4583 0.0000  plane waves:    2824
 k-point  91 :  -0.0417 0.4167 0.0000  plane waves:    2824
 k-point  92 :   0.4167-0.0417 0.0000  plane waves:    2824
 k-point  93 :  -0.0417-0.4583 0.0000  plane waves:    2824
 k-point  94 :  -0.4583-0.4167 0.0000  plane waves:    2824
 k-point  95 :   0.5000 0.0417 0.0000  plane waves:    2832
 k-point  96 :   0.4583 0.5000 0.0000  plane waves:    2832
 k-point  97 :  -0.0417 0.4583 0.0000  plane waves:    2832
 k-point  98 :   0.4583-0.0417 0.0000  plane waves:    2832
 k-point  99 :  -0.0417 0.5000 0.0000  plane waves:    2832
 k-point 100 :   0.5000-0.4583 0.0000  plane waves:    2832
 k-point 101 :   0.1667 0.0833 0.0000  plane waves:    2847
 k-point 102 :   0.0833 0.1667 0.0000  plane waves:    2847
 k-point 103 :  -0.0833 0.0833 0.0000  plane waves:    2847
 k-point 104 :   0.2083 0.0833 0.0000  plane waves:    2843
 k-point 105 :   0.1250 0.2083 0.0000  plane waves:    2843
 k-point 106 :  -0.0833 0.1250 0.0000  plane waves:    2843
 k-point 107 :   0.1250-0.0833 0.0000  plane waves:    2843
 k-point 108 :  -0.0833-0.2083 0.0000  plane waves:    2843
 k-point 109 :  -0.2083-0.1250 0.0000  plane waves:    2843
 k-point 110 :   0.2500 0.0833 0.0000  plane waves:    2844
 k-point 111 :   0.1667 0.2500 0.0000  plane waves:    2844
 k-point 112 :  -0.0833 0.1667 0.0000  plane waves:    2844
 k-point 113 :   0.1667-0.0833 0.0000  plane waves:    2844
 k-point 114 :  -0.0833-0.2500 0.0000  plane waves:    2844
 k-point 115 :  -0.2500-0.1667 0.0000  plane waves:    2844
 k-point 116 :   0.2917 0.0833 0.0000  plane waves:    2840
 k-point 117 :   0.2083 0.2917 0.0000  plane waves:    2840
 k-point 118 :  -0.0833 0.2083 0.0000  plane waves:    2840
 k-point 119 :   0.2083-0.0833 0.0000  plane waves:    2840
 k-point 120 :  -0.0833-0.2917 0.0000  plane waves:    2840
 k-point 121 :  -0.2917-0.2083 0.0000  plane waves:    2840
 k-point 122 :   0.3333 0.0833 0.0000  plane waves:    2832
 k-point 123 :   0.2500 0.3333 0.0000  plane waves:    2832
 k-point 124 :  -0.0833 0.2500 0.0000  plane waves:    2832
 k-point 125 :   0.2500-0.0833 0.0000  plane waves:    2832
 k-point 126 :  -0.0833-0.3333 0.0000  plane waves:    2832
 k-point 127 :  -0.3333-0.2500 0.0000  plane waves:    2832
 k-point 128 :   0.3750 0.0833 0.0000  plane waves:    2825
 k-point 129 :   0.2917 0.3750 0.0000  plane waves:    2825
 k-point 130 :  -0.0833 0.2917 0.0000  plane waves:    2825
 k-point 131 :   0.2917-0.0833 0.0000  plane waves:    2825
 k-point 132 :  -0.0833-0.3750 0.0000  plane waves:    2825
 k-point 133 :  -0.3750-0.2917 0.0000  plane waves:    2825
 k-point 134 :   0.4167 0.0833 0.0000  plane waves:    2830
 k-point 135 :   0.3333 0.4167 0.0000  plane waves:    2830
 k-point 136 :  -0.0833 0.3333 0.0000  plane waves:    2830
 k-point 137 :   0.3333-0.0833 0.0000  plane waves:    2830
 k-point 138 :  -0.0833-0.4167 0.0000  plane waves:    2830
 k-point 139 :  -0.4167-0.3333 0.0000  plane waves:    2830
 k-point 140 :   0.4583 0.0833 0.0000  plane waves:    2823
 k-point 141 :   0.3750 0.4583 0.0000  plane waves:    2823
 k-point 142 :  -0.0833 0.3750 0.0000  plane waves:    2823
 k-point 143 :   0.3750-0.0833 0.0000  plane waves:    2823
 k-point 144 :  -0.0833-0.4583 0.0000  plane waves:    2823
 k-point 145 :  -0.4583-0.3750 0.0000  plane waves:    2823
 k-point 146 :   0.5000 0.0833 0.0000  plane waves:    2817
 k-point 147 :   0.4167 0.5000 0.0000  plane waves:    2817
 k-point 148 :  -0.0833 0.4167 0.0000  plane waves:    2817
 k-point 149 :   0.4167-0.0833 0.0000  plane waves:    2817
 k-point 150 :  -0.0833 0.5000 0.0000  plane waves:    2817
 k-point 151 :   0.5000-0.4167 0.0000  plane waves:    2817
 k-point 152 :  -0.4583 0.0833 0.0000  plane waves:    2820
 k-point 153 :   0.4583-0.4583 0.0000  plane waves:    2820
 k-point 154 :  -0.0833 0.4583 0.0000  plane waves:    2820
 k-point 155 :   0.2500 0.1250 0.0000  plane waves:    2839
 k-point 156 :   0.1250 0.2500 0.0000  plane waves:    2839
 k-point 157 :  -0.1250 0.1250 0.0000  plane waves:    2839
 k-point 158 :   0.2917 0.1250 0.0000  plane waves:    2831
 k-point 159 :   0.1667 0.2917 0.0000  plane waves:    2831
 k-point 160 :  -0.1250 0.1667 0.0000  plane waves:    2831
 k-point 161 :   0.1667-0.1250 0.0000  plane waves:    2831
 k-point 162 :  -0.1250-0.2917 0.0000  plane waves:    2831
 k-point 163 :  -0.2917-0.1667 0.0000  plane waves:    2831
 k-point 164 :   0.3333 0.1250 0.0000  plane waves:    2832
 k-point 165 :   0.2083 0.3333 0.0000  plane waves:    2832
 k-point 166 :  -0.1250 0.2083 0.0000  plane waves:    2832
 k-point 167 :   0.2083-0.1250 0.0000  plane waves:    2832
 k-point 168 :  -0.1250-0.3333 0.0000  plane waves:    2832
 k-point 169 :  -0.3333-0.2083 0.0000  plane waves:    2832
 k-point 170 :   0.3750 0.1250 0.0000  plane waves:    2831
 k-point 171 :   0.2500 0.3750 0.0000  plane waves:    2831
 k-point 172 :  -0.1250 0.2500 0.0000  plane waves:    2831
 k-point 173 :   0.2500-0.1250 0.0000  plane waves:    2831
 k-point 174 :  -0.1250-0.3750 0.0000  plane waves:    2831
 k-point 175 :  -0.3750-0.2500 0.0000  plane waves:    2831
 k-point 176 :   0.4167 0.1250 0.0000  plane waves:    2832
 k-point 177 :   0.2917 0.4167 0.0000  plane waves:    2832
 k-point 178 :  -0.1250 0.2917 0.0000  plane waves:    2832
 k-point 179 :   0.2917-0.1250 0.0000  plane waves:    2832
 k-point 180 :  -0.1250-0.4167 0.0000  plane waves:    2832
 k-point 181 :  -0.4167-0.2917 0.0000  plane waves:    2832
 k-point 182 :   0.4583 0.1250 0.0000  plane waves:    2822
 k-point 183 :   0.3333 0.4583 0.0000  plane waves:    2822
 k-point 184 :  -0.1250 0.3333 0.0000  plane waves:    2822
 k-point 185 :   0.3333-0.1250 0.0000  plane waves:    2822
 k-point 186 :  -0.1250-0.4583 0.0000  plane waves:    2822
 k-point 187 :  -0.4583-0.3333 0.0000  plane waves:    2822
 k-point 188 :   0.5000 0.1250 0.0000  plane waves:    2824
 k-point 189 :   0.3750 0.5000 0.0000  plane waves:    2824
 k-point 190 :  -0.1250 0.3750 0.0000  plane waves:    2824
 k-point 191 :   0.3750-0.1250 0.0000  plane waves:    2824
 k-point 192 :  -0.1250 0.5000 0.0000  plane waves:    2824
 k-point 193 :   0.5000-0.3750 0.0000  plane waves:    2824
 k-point 194 :  -0.4583 0.1250 0.0000  plane waves:    2815
 k-point 195 :   0.4167-0.4583 0.0000  plane waves:    2815
 k-point 196 :  -0.1250 0.4167 0.0000  plane waves:    2815
 k-point 197 :   0.4167-0.1250 0.0000  plane waves:    2815
 k-point 198 :  -0.1250 0.4583 0.0000  plane waves:    2815
 k-point 199 :   0.4583-0.4167 0.0000  plane waves:    2815
 k-point 200 :   0.3333 0.1667 0.0000  plane waves:    2839
 k-point 201 :   0.1667 0.3333 0.0000  plane waves:    2839
 k-point 202 :  -0.1667 0.1667 0.0000  plane waves:    2839
 k-point 203 :   0.3750 0.1667 0.0000  plane waves:    2824
 k-point 204 :   0.2083 0.3750 0.0000  plane waves:    2824
 k-point 205 :  -0.1667 0.2083 0.0000  plane waves:    2824
 k-point 206 :   0.2083-0.1667 0.0000  plane waves:    2824
 k-point 207 :  -0.1667-0.3750 0.0000  plane waves:    2824
 k-point 208 :  -0.3750-0.2083 0.0000  plane waves:    2824
 k-point 209 :   0.4167 0.1667 0.0000  plane waves:    2830
 k-point 210 :   0.2500 0.4167 0.0000  plane waves:    2830
 k-point 211 :  -0.1667 0.2500 0.0000  plane waves:    2830
 k-point 212 :   0.2500-0.1667 0.0000  plane waves:    2830
 k-point 213 :  -0.1667-0.4167 0.0000  plane waves:    2830
 k-point 214 :  -0.4167-0.2500 0.0000  plane waves:    2830
 k-point 215 :   0.4583 0.1667 0.0000  plane waves:    2832
 k-point 216 :   0.2917 0.4583 0.0000  plane waves:    2832
 k-point 217 :  -0.1667 0.2917 0.0000  plane waves:    2832
 k-point 218 :   0.2917-0.1667 0.0000  plane waves:    2832
 k-point 219 :  -0.1667-0.4583 0.0000  plane waves:    2832
 k-point 220 :  -0.4583-0.2917 0.0000  plane waves:    2832
 k-point 221 :   0.5000 0.1667 0.0000  plane waves:    2813
 k-point 222 :   0.3333 0.5000 0.0000  plane waves:    2813
 k-point 223 :  -0.1667 0.3333 0.0000  plane waves:    2813
 k-point 224 :   0.3333-0.1667 0.0000  plane waves:    2813
 k-point 225 :  -0.1667 0.5000 0.0000  plane waves:    2813
 k-point 226 :   0.5000-0.3333 0.0000  plane waves:    2813
 k-point 227 :  -0.4583 0.1667 0.0000  plane waves:    2806
 k-point 228 :   0.3750-0.4583 0.0000  plane waves:    2806
 k-point 229 :  -0.1667 0.3750 0.0000  plane waves:    2806
 k-point 230 :   0.3750-0.1667 0.0000  plane waves:    2806
 k-point 231 :  -0.1667 0.4583 0.0000  plane waves:    2806
 k-point 232 :   0.4583-0.3750 0.0000  plane waves:    2806
 k-point 233 :  -0.4167 0.1667 0.0000  plane waves:    2804
 k-point 234 :   0.4167-0.4167 0.0000  plane waves:    2804
 k-point 235 :  -0.1667 0.4167 0.0000  plane waves:    2804
 k-point 236 :   0.4167 0.2083 0.0000  plane waves:    2827
 k-point 237 :   0.2083 0.4167 0.0000  plane waves:    2827
 k-point 238 :  -0.2083 0.2083 0.0000  plane waves:    2827
 k-point 239 :   0.4583 0.2083 0.0000  plane waves:    2820
 k-point 240 :   0.2500 0.4583 0.0000  plane waves:    2820
 k-point 241 :  -0.2083 0.2500 0.0000  plane waves:    2820
 k-point 242 :   0.2500-0.2083 0.0000  plane waves:    2820
 k-point 243 :  -0.2083-0.4583 0.0000  plane waves:    2820
 k-point 244 :  -0.4583-0.2500 0.0000  plane waves:    2820
 k-point 245 :   0.5000 0.2083 0.0000  plane waves:    2816
 k-point 246 :   0.2917 0.5000 0.0000  plane waves:    2816
 k-point 247 :  -0.2083 0.2917 0.0000  plane waves:    2816
 k-point 248 :   0.2917-0.2083 0.0000  plane waves:    2816
 k-point 249 :  -0.2083 0.5000 0.0000  plane waves:    2816
 k-point 250 :   0.5000-0.2917 0.0000  plane waves:    2816
 k-point 251 :  -0.4583 0.2083 0.0000  plane waves:    2802
 k-point 252 :   0.3333-0.4583 0.0000  plane waves:    2802
 k-point 253 :  -0.2083 0.3333 0.0000  plane waves:    2802
 k-point 254 :   0.3333-0.2083 0.0000  plane waves:    2802
 k-point 255 :  -0.2083 0.4583 0.0000  plane waves:    2802
 k-point 256 :   0.4583-0.3333 0.0000  plane waves:    2802
 k-point 257 :  -0.4167 0.2083 0.0000  plane waves:    2802
 k-point 258 :   0.3750-0.4167 0.0000  plane waves:    2802
 k-point 259 :  -0.2083 0.3750 0.0000  plane waves:    2802
 k-point 260 :   0.3750-0.2083 0.0000  plane waves:    2802
 k-point 261 :  -0.2083 0.4167 0.0000  plane waves:    2802
 k-point 262 :   0.4167-0.3750 0.0000  plane waves:    2802
 k-point 263 :   0.5000 0.2500 0.0000  plane waves:    2809
 k-point 264 :   0.2500 0.5000 0.0000  plane waves:    2809
 k-point 265 :  -0.2500 0.2500 0.0000  plane waves:    2809
 k-point 266 :  -0.4583 0.2500 0.0000  plane waves:    2802
 k-point 267 :   0.2917-0.4583 0.0000  plane waves:    2802
 k-point 268 :  -0.2500 0.2917 0.0000  plane waves:    2802
 k-point 269 :   0.2917-0.2500 0.0000  plane waves:    2802
 k-point 270 :  -0.2500 0.4583 0.0000  plane waves:    2802
 k-point 271 :   0.4583-0.2917 0.0000  plane waves:    2802
 k-point 272 :  -0.4167 0.2500 0.0000  plane waves:    2792
 k-point 273 :   0.3333-0.4167 0.0000  plane waves:    2792
 k-point 274 :  -0.2500 0.3333 0.0000  plane waves:    2792
 k-point 275 :   0.3333-0.2500 0.0000  plane waves:    2792
 k-point 276 :  -0.2500 0.4167 0.0000  plane waves:    2792
 k-point 277 :   0.4167-0.3333 0.0000  plane waves:    2792
 k-point 278 :  -0.3750 0.2500 0.0000  plane waves:    2794
 k-point 279 :   0.3750-0.3750 0.0000  plane waves:    2794
 k-point 280 :  -0.2500 0.3750 0.0000  plane waves:    2794
 k-point 281 :  -0.4167 0.2917 0.0000  plane waves:    2791
 k-point 282 :   0.2917-0.4167 0.0000  plane waves:    2791
 k-point 283 :  -0.2917 0.2917 0.0000  plane waves:    2791
 k-point 284 :  -0.3750 0.2917 0.0000  plane waves:    2790
 k-point 285 :   0.3333-0.3750 0.0000  plane waves:    2790
 k-point 286 :  -0.2917 0.3333 0.0000  plane waves:    2790
 k-point 287 :   0.3333-0.2917 0.0000  plane waves:    2790
 k-point 288 :  -0.2917 0.3750 0.0000  plane waves:    2790
 k-point 289 :   0.3750-0.3333 0.0000  plane waves:    2790
 k-point 290 :  -0.3333 0.3333 0.0000  plane waves:    2760

 maximum and minimum number of plane-waves per node :       739      669

 maximum number of plane-waves:      2867
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   35
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -35


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


 FFT grid for exact exchange (Hartree Fock) 
  NGX = 14; NGY = 14; NGZ =108

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   1.301 (default was   1.041)
       energy cutoff for augmentation   1600.0

 real space projection operators:
  total allocation   :        353.88 KBytes
  max/ min on nodes  :        105.47         70.88

 Maximum index for augmentation-charges in exchange          386
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0   116041. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        216. kBytes
   wavefun   :      63141. kBytes
 
     INWAV:  cpu time      1.7678: real time      1.7718
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 71
  (NGX  = 40   NGY  = 40   NGZ  =288)
  gives a total of   5751 points

 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for augmentation-charges         7095 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.330
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x10

    FEWALD:  cpu time      0.0016: real time      0.0016


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


vdW kernel read from vdw_kernel.bindat
  0.0000  0.2424  0.5071  0.7962  1.1119  1.4567  1.8333  2.2446  2.6937  3.1842
  3.7199  4.3049  4.9438  5.6415  6.4036  7.2358  8.1446  9.1372 10.2212 11.4050
 12.6979 14.1099 15.6519 17.3360 19.1751 21.1837 23.3773 25.7729 28.3892 31.2465
 34.3669 37.7748 41.4965 45.5611 50.0000
 
    POTLOK:  cpu time      0.9427: real time      0.9452
    SETDIJ:  cpu time      0.8084: real time      0.8100
    TRIAL :  cpu time   3626.8406: real time   3637.2491
    CORREC:  cpu time      0.0113: real time      0.0113
    CHARGE:  cpu time      0.4586: real time      0.4599
    --------------------------------------------
      LOOP:  cpu time   3629.0676: real time   3639.5272

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1013380E+02  (-0.1236342E+00)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.1687261 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.34472695
  -exchange      EXHF   =        26.51060835
  -V(xc)+E(xc)   XCENC  =       -66.94918138
  PAW double counting   =       342.47971469     -261.73401315
  entropy T*S    EENTRO =         0.00264741
  eigenvalues    EBANDS =       -52.74083996
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.13380251 eV

  energy without entropy =      -10.13644991  energy(sigma->0) =      -10.13468497
  exchange ACFDT corr.  =         0.00073316  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5348: real time      0.5363
    SETDIJ:  cpu time      0.8082: real time      0.8098
    TRIAL :  cpu time   3618.1354: real time   3628.9598
    CORREC:  cpu time      0.0106: real time      0.0107
    CHARGE:  cpu time      0.4355: real time      0.4368
    --------------------------------------------
      LOOP:  cpu time   3619.9250: real time   3630.7536

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1149061E+00  (-0.1564136E+00)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.1463677 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.85976226
  -exchange      EXHF   =        26.51269028
  -V(xc)+E(xc)   XCENC  =       -66.92946067
  PAW double counting   =       502.67602911     -421.91502025
  entropy T*S    EENTRO =         0.00263344
  eigenvalues    EBANDS =       -53.37784739
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.24870864 eV

  energy without entropy =      -10.25134208  energy(sigma->0) =      -10.24958646
  exchange ACFDT corr.  =         0.00058046  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5348: real time      0.5362
    SETDIJ:  cpu time      0.8078: real time      0.8094
    TRIAL :  cpu time   3607.2102: real time   3617.5955
    CORREC:  cpu time      0.0105: real time      0.0105
    CHARGE:  cpu time      0.4291: real time      0.4303
    --------------------------------------------
      LOOP:  cpu time   3608.9926: real time   3619.3823

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1404206E+00  (-0.1408008E+00)
 number of electron      12.0000000 magnetization       0.0000004
 augmentation part       -0.1232086 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.40655520
  -exchange      EXHF   =        26.51875409
  -V(xc)+E(xc)   XCENC  =       -66.90267282
  PAW double counting   =       982.88307812     -902.10288068
  entropy T*S    EENTRO =         0.00256189
  eigenvalues    EBANDS =       -54.02350130
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.38912920 eV

  energy without entropy =      -10.39169109  energy(sigma->0) =      -10.38998316
  exchange ACFDT corr.  =         0.00053836  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5359: real time      0.5373
    SETDIJ:  cpu time      0.8076: real time      0.8091
    TRIAL :  cpu time   3613.1360: real time   3624.7729
    CORREC:  cpu time      0.0103: real time      0.0103
    CHARGE:  cpu time      0.4577: real time      0.4593
    --------------------------------------------
      LOOP:  cpu time   3614.9478: real time   3626.5893

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1258738E+00  (-0.1168987E+00)
 number of electron      12.0000000 magnetization       0.0000014
 augmentation part       -0.1020610 magnetization      -0.0000015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.27957753
  -exchange      EXHF   =        26.52936891
  -V(xc)+E(xc)   XCENC  =       -66.87796420
  PAW double counting   =      2110.68738409    -2029.89194886
  entropy T*S    EENTRO =         0.00246197
  eigenvalues    EBANDS =       -54.32684240
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.51500296 eV

  energy without entropy =      -10.51746493  energy(sigma->0) =      -10.51582362
  exchange ACFDT corr.  =         0.00047333  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5348: real time      0.5365
    SETDIJ:  cpu time      0.8070: real time      0.8088
    TRIAL :  cpu time   3610.8876: real time   3621.5459
    CORREC:  cpu time      0.0101: real time      0.0102
    CHARGE:  cpu time      0.4633: real time      0.4647
    --------------------------------------------
      LOOP:  cpu time   3612.7033: real time   3623.3664

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1057841E+00  (-0.9711496E-01)
 number of electron      12.0000000 magnetization       0.0000022
 augmentation part       -0.0836934 magnetization      -0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.45626669
  -exchange      EXHF   =        26.54181820
  -V(xc)+E(xc)   XCENC  =       -66.86088601
  PAW double counting   =      4276.39968793    -4195.59666261
  entropy T*S    EENTRO =         0.00237111
  eigenvalues    EBANDS =       -54.29295495
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.62078703 eV

  energy without entropy =      -10.62315814  energy(sigma->0) =      -10.62157740
  exchange ACFDT corr.  =         0.00037174  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5344: real time      0.5358
    SETDIJ:  cpu time      0.8070: real time      0.8086
    TRIAL :  cpu time   3602.8714: real time   3613.3460
    CORREC:  cpu time      0.0104: real time      0.0105
    CHARGE:  cpu time      0.4347: real time      0.4359
    --------------------------------------------
      LOOP:  cpu time   3604.6583: real time   3615.1371

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8841976E-01  (-0.7920310E-01)
 number of electron      12.0000000 magnetization       0.0000026
 augmentation part       -0.0677685 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.73921231
  -exchange      EXHF   =        26.55190027
  -V(xc)+E(xc)   XCENC  =       -66.85305781
  PAW double counting   =      7811.73742602    -7730.93474189
  entropy T*S    EENTRO =         0.00230860
  eigenvalues    EBANDS =       -54.11590732
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.70920678 eV

  energy without entropy =      -10.71151538  energy(sigma->0) =      -10.70997632
  exchange ACFDT corr.  =         0.00038506  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5346: real time      0.5360
    SETDIJ:  cpu time      0.8072: real time      0.8088
    TRIAL :  cpu time   3562.5612: real time   3572.8678
    CORREC:  cpu time      0.0106: real time      0.0106
    CHARGE:  cpu time      0.4360: real time      0.4372
    --------------------------------------------
      LOOP:  cpu time   3564.3498: real time   3574.6607

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7159470E-01  (-0.6120184E-01)
 number of electron      12.0000000 magnetization       0.0000024
 augmentation part       -0.0536511 magnetization       0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1099.95343813
  -exchange      EXHF   =        26.55698907
  -V(xc)+E(xc)   XCENC  =       -66.85268191
  PAW double counting   =     12947.93058273   -12867.13376081
  entropy T*S    EENTRO =         0.00227473
  eigenvalues    EBANDS =       -53.97281617
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.78080148 eV

  energy without entropy =      -10.78307621  energy(sigma->0) =      -10.78155972
  exchange ACFDT corr.  =         0.00037152  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5352: real time      0.5366
    SETDIJ:  cpu time      0.8086: real time      0.8101
    TRIAL :  cpu time   3573.7496: real time   3583.9902
    CORREC:  cpu time      0.0100: real time      0.0100
    CHARGE:  cpu time      0.4367: real time      0.4379
    --------------------------------------------
      LOOP:  cpu time   3575.5403: real time   3585.7851

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5454554E-01  (-0.4432511E-01)
 number of electron      12.0000000 magnetization       0.0000020
 augmentation part       -0.0409402 magnetization       0.0000028

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.03946079
  -exchange      EXHF   =        26.55747519
  -V(xc)+E(xc)   XCENC  =       -66.85609264
  PAW double counting   =     19831.37433745   -19750.58564892
  entropy T*S    EENTRO =         0.00226148
  eigenvalues    EBANDS =       -53.93024718
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83534702 eV

  energy without entropy =      -10.83760850  energy(sigma->0) =      -10.83610084
  exchange ACFDT corr.  =         0.00037934  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5347: real time      0.5361
    SETDIJ:  cpu time      0.8082: real time      0.8097
    TRIAL :  cpu time   3568.0867: real time   3578.2898
    CORREC:  cpu time      0.0098: real time      0.0098
    CHARGE:  cpu time      0.4357: real time      0.4369
    --------------------------------------------
      LOOP:  cpu time   3569.8753: real time   3580.0826

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3891129E-01  (-0.2999389E-01)
 number of electron      12.0000000 magnetization       0.0000014
 augmentation part       -0.0297180 magnetization       0.0000038

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.04325632
  -exchange      EXHF   =        26.55592571
  -V(xc)+E(xc)   XCENC  =       -66.85971811
  PAW double counting   =     28475.06681343   -28394.28559603
  entropy T*S    EENTRO =         0.00226021
  eigenvalues    EBANDS =       -53.95270360
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87425831 eV

  energy without entropy =      -10.87651852  energy(sigma->0) =      -10.87501171
  exchange ACFDT corr.  =         0.00037511  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5345: real time      0.5359
    SETDIJ:  cpu time      0.8087: real time      0.8102
    TRIAL :  cpu time   3584.5664: real time   3594.9795
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4254: real time      0.4266
    --------------------------------------------
      LOOP:  cpu time   3586.3453: real time   3596.7627

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2589236E-01  (-0.1861492E-01)
 number of electron      12.0000000 magnetization       0.0000010
 augmentation part       -0.0203936 magnetization       0.0000037

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.04702227
  -exchange      EXHF   =        26.55491577
  -V(xc)+E(xc)   XCENC  =       -66.86159120
  PAW double counting   =     38531.82836529   -38451.05275429
  entropy T*S    EENTRO =         0.00226479
  eigenvalues    EBANDS =       -53.96633931
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.90015067 eV

  energy without entropy =      -10.90241546  energy(sigma->0) =      -10.90090560
  exchange ACFDT corr.  =         0.00038304  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5348: real time      0.5362
    SETDIJ:  cpu time      0.8084: real time      0.8099
    TRIAL :  cpu time   3564.6871: real time   3574.8294
    CORREC:  cpu time      0.0100: real time      0.0101
    CHARGE:  cpu time      0.4292: real time      0.4305
    --------------------------------------------
      LOOP:  cpu time   3566.4699: real time   3576.6165

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1573933E-01  (-0.1042120E-01)
 number of electron      12.0000000 magnetization       0.0000006
 augmentation part       -0.0132247 magnetization       0.0000029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.08785067
  -exchange      EXHF   =        26.55523844
  -V(xc)+E(xc)   XCENC  =       -66.86184698
  PAW double counting   =     49108.29625772   -49027.52446514
  entropy T*S    EENTRO =         0.00227223
  eigenvalues    EBANDS =       -53.93750330
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.91589000 eV

  energy without entropy =      -10.91816223  energy(sigma->0) =      -10.91664741
  exchange ACFDT corr.  =         0.00037579  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5344: real time      0.5358
    SETDIJ:  cpu time      0.8086: real time      0.8101
    TRIAL :  cpu time   3553.2031: real time   3563.3154
    CORREC:  cpu time      0.0102: real time      0.0103
    CHARGE:  cpu time      0.4244: real time      0.4256
    --------------------------------------------
      LOOP:  cpu time   3554.9811: real time   3565.0975

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8590731E-02  (-0.5229768E-02)
 number of electron      12.0000000 magnetization       0.0000004
 augmentation part       -0.0081225 magnetization       0.0000019

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.14123143
  -exchange      EXHF   =        26.55615938
  -V(xc)+E(xc)   XCENC  =       -66.86164396
  PAW double counting   =     59054.36611176   -58973.59717146
  entropy T*S    EENTRO =         0.00228125
  eigenvalues    EBANDS =       -53.89099239
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.92448073 eV

  energy without entropy =      -10.92676197  energy(sigma->0) =      -10.92524114
  exchange ACFDT corr.  =         0.00038028  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5340: real time      0.5355
    SETDIJ:  cpu time      0.8088: real time      0.8103
    TRIAL :  cpu time   3559.6657: real time   3570.5598
    CORREC:  cpu time      0.0102: real time      0.0102
    CHARGE:  cpu time      0.4251: real time      0.4263
    --------------------------------------------
      LOOP:  cpu time   3561.4441: real time   3572.3424

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4186982E-02  (-0.2345233E-02)
 number of electron      12.0000000 magnetization       0.0000003
 augmentation part       -0.0047443 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.17580224
  -exchange      EXHF   =        26.55689378
  -V(xc)+E(xc)   XCENC  =       -66.86182620
  PAW double counting   =     67440.18384397   -67359.41728349
  entropy T*S    EENTRO =         0.00229048
  eigenvalues    EBANDS =       -53.85878992
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.92866771 eV

  energy without entropy =      -10.93095819  energy(sigma->0) =      -10.92943120
  exchange ACFDT corr.  =         0.00038174  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  14)  ---------------------------------------


    POTLOK:  cpu time      0.5341: real time      0.5355
    SETDIJ:  cpu time      0.8096: real time      0.8112
    TRIAL :  cpu time   3557.1732: real time   3567.5350
    CORREC:  cpu time      0.0099: real time      0.0099
    CHARGE:  cpu time      0.4272: real time      0.4284
    --------------------------------------------
      LOOP:  cpu time   3558.9544: real time   3569.3204

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1807684E-02  (-0.9315151E-03)
 number of electron      12.0000000 magnetization       0.0000002
 augmentation part       -0.0026622 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.18807468
  -exchange      EXHF   =        26.55729263
  -V(xc)+E(xc)   XCENC  =       -66.86245591
  PAW double counting   =     73807.88817185   -73727.12375724
  entropy T*S    EENTRO =         0.00229831
  eigenvalues    EBANDS =       -53.84595766
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93047539 eV

  energy without entropy =      -10.93277370  energy(sigma->0) =      -10.93124150
  exchange ACFDT corr.  =         0.00038765  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  15)  ---------------------------------------


    POTLOK:  cpu time      0.5338: real time      0.5352
    SETDIJ:  cpu time      0.8092: real time      0.8107
    TRIAL :  cpu time   3547.4131: real time   3557.7107
    CORREC:  cpu time      0.0101: real time      0.0102
    CHARGE:  cpu time      0.4259: real time      0.4271
    --------------------------------------------
      LOOP:  cpu time   3549.1924: real time   3559.4942

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6867199E-03  (-0.3434630E-03)
 number of electron      12.0000000 magnetization       0.0000001
 augmentation part       -0.0014888 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.19200410
  -exchange      EXHF   =        26.55758831
  -V(xc)+E(xc)   XCENC  =       -66.86315495
  PAW double counting   =     78149.16065466   -78068.39804865
  entropy T*S    EENTRO =         0.00230379
  eigenvalues    EBANDS =       -53.84051084
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93116211 eV

  energy without entropy =      -10.93346590  energy(sigma->0) =      -10.93193004
  exchange ACFDT corr.  =         0.00039151  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  16)  ---------------------------------------


    POTLOK:  cpu time      0.5337: real time      0.5351
    SETDIJ:  cpu time      0.8087: real time      0.8102
    TRIAL :  cpu time   3556.5452: real time   3567.3784
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4254: real time      0.4271
    --------------------------------------------
      LOOP:  cpu time   3558.3236: real time   3569.1613

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2473801E-03  (-0.1442538E-03)
 number of electron      12.0000000 magnetization       0.0000001
 augmentation part       -0.0009103 magnetization      -0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.19707124
  -exchange      EXHF   =        26.55796197
  -V(xc)+E(xc)   XCENC  =       -66.86362971
  PAW double counting   =     80759.16577546   -80678.40421445
  entropy T*S    EENTRO =         0.00230695
  eigenvalues    EBANDS =       -53.83455046
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93140949 eV

  energy without entropy =      -10.93371644  energy(sigma->0) =      -10.93217848
  exchange ACFDT corr.  =         0.00039371  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  17)  ---------------------------------------


    POTLOK:  cpu time      0.5345: real time      0.5361
    SETDIJ:  cpu time      0.8086: real time      0.8101
    TRIAL :  cpu time   3557.2739: real time   3567.4761
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4276: real time      0.4288
    --------------------------------------------
      LOOP:  cpu time   3559.0549: real time   3569.2616

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1092815E-03  (-0.8453279E-04)
 number of electron      12.0000000 magnetization       0.0000000
 augmentation part       -0.0006961 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.20356074
  -exchange      EXHF   =        26.55841123
  -V(xc)+E(xc)   XCENC  =       -66.86385272
  PAW double counting   =     82100.56705158   -82019.80611842
  entropy T*S    EENTRO =         0.00230834
  eigenvalues    EBANDS =       -53.82777180
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93151878 eV

  energy without entropy =      -10.93382711  energy(sigma->0) =      -10.93228822
  exchange ACFDT corr.  =         0.00038928  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  18)  ---------------------------------------


    POTLOK:  cpu time      0.5339: real time      0.5353
    SETDIJ:  cpu time      0.8082: real time      0.8097
    TRIAL :  cpu time   3559.2231: real time   3569.4222
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4295: real time      0.4308
    --------------------------------------------
      LOOP:  cpu time   3561.0052: real time   3571.2084

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7112075E-04  (-0.6205008E-04)
 number of electron      12.0000000 magnetization      -0.0000001
 augmentation part       -0.0006821 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.20921254
  -exchange      EXHF   =        26.55887213
  -V(xc)+E(xc)   XCENC  =       -66.86393083
  PAW double counting   =     82627.83052565   -82547.06982412
  entropy T*S    EENTRO =         0.00230848
  eigenvalues    EBANDS =       -53.82234367
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93158990 eV

  energy without entropy =      -10.93389837  energy(sigma->0) =      -10.93235939
  exchange ACFDT corr.  =         0.00039038  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  19)  ---------------------------------------


    POTLOK:  cpu time      0.5330: real time      0.5344
    SETDIJ:  cpu time      0.8079: real time      0.8094
    TRIAL :  cpu time   3560.3063: real time   3570.8932
    CORREC:  cpu time      0.0098: real time      0.0098
    CHARGE:  cpu time      0.4288: real time      0.4300
    --------------------------------------------
      LOOP:  cpu time   3562.0862: real time   3572.6772

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5550796E-04  (-0.4658641E-04)
 number of electron      12.0000000 magnetization      -0.0000001
 augmentation part       -0.0007616 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.21341344
  -exchange      EXHF   =        26.55929612
  -V(xc)+E(xc)   XCENC  =       -66.86395545
  PAW double counting   =     82702.38036439   -82621.61976518
  entropy T*S    EENTRO =         0.00230773
  eigenvalues    EBANDS =       -53.81849547
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93164540 eV

  energy without entropy =      -10.93395314  energy(sigma->0) =      -10.93241465
  exchange ACFDT corr.  =         0.00039076  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  20)  ---------------------------------------


    POTLOK:  cpu time      0.5354: real time      0.5368
    SETDIJ:  cpu time      0.8077: real time      0.8092
    TRIAL :  cpu time   3559.9071: real time   3570.0431
    CORREC:  cpu time      0.0101: real time      0.0101
    CHARGE:  cpu time      0.4294: real time      0.4306
    --------------------------------------------
      LOOP:  cpu time   3561.6900: real time   3571.8302

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4264319E-04  (-0.3339522E-04)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.0008725 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.21666835
  -exchange      EXHF   =        26.55966391
  -V(xc)+E(xc)   XCENC  =       -66.86396877
  PAW double counting   =     82564.58052608   -82483.81997514
  entropy T*S    EENTRO =         0.00230641
  eigenvalues    EBANDS =       -53.81558865
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93168805 eV

  energy without entropy =      -10.93399445  energy(sigma->0) =      -10.93245685
  exchange ACFDT corr.  =         0.00039059  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  21)  ---------------------------------------


    POTLOK:  cpu time      0.5343: real time      0.5357
    SETDIJ:  cpu time      0.8085: real time      0.8101
    TRIAL :  cpu time   3558.6738: real time   3568.8965
    CORREC:  cpu time      0.0097: real time      0.0098
    CHARGE:  cpu time      0.4266: real time      0.4278
    --------------------------------------------
      LOOP:  cpu time   3560.4532: real time   3570.6802

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3085310E-04  (-0.2277105E-04)
 number of electron      12.0000000 magnetization      -0.0000003
 augmentation part       -0.0009815 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.21936862
  -exchange      EXHF   =        26.55997530
  -V(xc)+E(xc)   XCENC  =       -66.86398018
  PAW double counting   =     82352.93252217   -82272.17198194
  entropy T*S    EENTRO =         0.00230473
  eigenvalues    EBANDS =       -53.81320719
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93171890 eV

  energy without entropy =      -10.93402363  energy(sigma->0) =      -10.93248714
  exchange ACFDT corr.  =         0.00038881  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  22)  ---------------------------------------


    POTLOK:  cpu time      0.5345: real time      0.5359
    SETDIJ:  cpu time      0.8085: real time      0.8100
    TRIAL :  cpu time   3560.2272: real time   3570.3600
    CORREC:  cpu time      0.0100: real time      0.0100
    CHARGE:  cpu time      0.4269: real time      0.4281
    --------------------------------------------
      LOOP:  cpu time   3562.0075: real time   3572.1444

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2121486E-04  (-0.1505850E-04)
 number of electron      12.0000000 magnetization      -0.0000003
 augmentation part       -0.0010739 magnetization       0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.22162433
  -exchange      EXHF   =        26.56023779
  -V(xc)+E(xc)   XCENC  =       -66.86398712
  PAW double counting   =     82140.26855744   -82059.50801748
  entropy T*S    EENTRO =         0.00230289
  eigenvalues    EBANDS =       -53.81122629
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93174012 eV

  energy without entropy =      -10.93404300  energy(sigma->0) =      -10.93250774
  exchange ACFDT corr.  =         0.00038846  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time      0.5348: real time      0.5362
    SETDIJ:  cpu time      0.8084: real time      0.8099
    TRIAL :  cpu time   3550.3653: real time   3561.2909
    CORREC:  cpu time      0.0101: real time      0.0102
    CHARGE:  cpu time      0.4251: real time      0.4266
    --------------------------------------------
      LOOP:  cpu time   3552.1439: real time   3563.0742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1417267E-04  (-0.9880327E-05)
 number of electron      12.0000000 magnetization      -0.0000003
 augmentation part       -0.0011460 magnetization       0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.22351629
  -exchange      EXHF   =        26.56045971
  -V(xc)+E(xc)   XCENC  =       -66.86398868
  PAW double counting   =     81959.25541992   -81878.49489326
  entropy T*S    EENTRO =         0.00230099
  eigenvalues    EBANDS =       -53.80955372
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93175429 eV

  energy without entropy =      -10.93405528  energy(sigma->0) =      -10.93252129
  exchange ACFDT corr.  =         0.00038798  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  24)  ---------------------------------------


    POTLOK:  cpu time      0.5335: real time      0.5352
    SETDIJ:  cpu time      0.8084: real time      0.8103
    TRIAL :  cpu time   3542.3700: real time   3552.5166
    CORREC:  cpu time      0.0100: real time      0.0100
    EDDIAG:  cpu time   3560.5691: real time   3571.2748
    CHARGE:  cpu time      0.4250: real time      0.4263
    --------------------------------------------
      LOOP:  cpu time   7104.7165: real time   7125.5736

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9403877E-05  (-0.6576098E-05)
 number of electron      12.0000000 magnetization      -0.0000004
 augmentation part       -0.0011988 magnetization       0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       887.63097027
  -Hartree energ DENC   =     -1100.22517264
  -exchange      EXHF   =        26.56080930
  -V(xc)+E(xc)   XCENC  =       -66.86398582
  PAW double counting   =     81819.58596134   -81738.82542840
  entropy T*S    EENTRO =         0.00229912
  eigenvalues    EBANDS =       -53.80810282
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93176369 eV

  energy without entropy =      -10.93406282  energy(sigma->0) =      -10.93253007
  exchange ACFDT corr.  =         0.00038744  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.2362


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -71.9909       2 -71.9653       3 -71.9546       4 -71.9704
 
 
 
 E-fermi :   1.0912     XC(G=0):  -3.7670     alpha+bet : -6.3116

 Fermi energy:         1.0911665858

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9644      1.00000
      2     -11.6891      1.00000
      3      -9.5507      1.00000
      4      -6.7311      1.00000
      5      -3.4434      1.00000
      6       0.5579      1.00047
      7       3.1979     -0.00000
      8       4.3074     -0.00000
      9       5.0521     -0.00000
     10       6.6864      0.00000
     11       6.9290      0.00000
     12       9.7785      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8233      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8254      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8183      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4355      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4355      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4355      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81071
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2418      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81071
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2419      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81071
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2418      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1313      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1419      0.00000
     11       7.4878      0.00000
     12       7.9168      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1313      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1419      0.00000
     11       7.4876      0.00000
     12       7.9205      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1313      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1419      0.00000
     11       7.4876      0.00000
     12       7.9201      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7065     -0.00000
     10       6.2625     -0.00000
     11       6.7172      0.00000
     12       8.3654      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7065     -0.00000
     10       6.2625     -0.00000
     11       6.7172      0.00000
     12       8.3654      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7065     -0.00000
     10       6.2625     -0.00000
     11       6.7172      0.00000
     12       8.3654      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.7472      0.00000
     12       7.1534      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.6415      0.00000
     12       6.9770      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.6951      0.00000
     12       6.9879      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
      4      -4.1237      1.00000
      5      -0.9216      1.00000
      6       1.9343     -0.00000
      7       3.0091     -0.00000
      8       3.5866     -0.00000
      9       5.1879     -0.00000
     10       5.5905     -0.00000
     11       6.5235      0.00000
     12       8.8618      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
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     10       5.5905     -0.00000
     11       6.5232      0.00000
     12       8.8017      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
      4      -4.1237      1.00000
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     10       5.5905     -0.00000
     11       6.5218      0.00000
     12       8.6582      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
      4      -3.3459      1.00000
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      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7900      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
      4      -3.3459      1.00000
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      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7894      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
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      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7844      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
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      8       2.3023     -0.00000
      9       4.4440     -0.00000
     10       5.0003     -0.00000
     11       6.7744      0.00000
     12       8.4769      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
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      6       0.1373      1.00000
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      8       2.3023     -0.00000
      9       4.4440     -0.00000
     10       5.0003     -0.00000
     11       6.7743      0.00000
     12       8.5058      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
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      6       0.1373      1.00000
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      8       2.3023     -0.00000
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     10       5.0003     -0.00000
     11       6.7743      0.00000
     12       8.4833      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
      4      -2.7718      1.00000
      5      -1.8127      1.00000
      6      -0.8687      1.00000
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      8       1.8531     -0.00000
      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
      4      -2.7718      1.00000
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      8       1.8531     -0.00000
      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
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      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
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      9       2.8423     -0.00000
     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
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     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
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     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
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      3      -4.2204      1.00000
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      8       1.2193      0.06744
      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.0559      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
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      3      -4.2204      1.00000
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      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.1215      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
      2      -5.3949      1.00000
      3      -4.2204      1.00000
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      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.0916      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
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      7       3.3323     -0.00000
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     10       6.8105      0.00000
     11       7.0536      0.00000
     12      10.4542      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
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     10       6.8105      0.00000
     11       7.0536      0.00000
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 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
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      7       3.3323     -0.00000
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     10       6.8105      0.00000
     11       7.0536      0.00000
     12      10.5124      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
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      3      -9.1827      1.00000
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
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      5      -3.0747      1.00000
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
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      5      -3.0747      1.00000
      6       0.9161      1.01159
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     10       6.9723      0.00000
     11       7.2158      0.00000
     12       9.9941      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
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      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4344      0.00000
     12       8.6463      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4344      0.00000
     12       8.6462      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4344      0.00000
     12       8.6458      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4344      0.00000
     12       8.6616      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4345      0.00000
     12       8.6679      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08608
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5950     -0.00000
     10       7.1881      0.00000
     11       7.4344      0.00000
     12       8.6455      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5266      0.00000
     12       7.6261      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5266      0.00000
     12       7.6256      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5266      0.00000
     12       7.6251      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5265      0.00000
     12       7.6264      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5266      0.00000
     12       7.6256      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8701     -0.00000
     10       6.6451      0.00000
     11       7.5266      0.00000
     12       7.6255      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4272     -0.00000
     12       7.8623      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7667      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7694      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7675      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7698      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7685      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3427     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.7686      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02734
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7710      0.00000
     12       7.0305      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24768
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24768
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1560      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5263      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0091      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22819
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5554     -0.00000
     10       7.1675      0.00000
     11       7.4051      0.00000
     12       9.3353      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22819
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5554     -0.00000
     10       7.1737      0.00000
     11       7.4000      0.00000
     12       9.3369      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22819
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5554     -0.00000
     10       7.1734      0.00000
     11       7.4003      0.00000
     12       9.3371      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2672      0.00000
     11       7.5555      0.00000
     12       8.1081      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0654      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0654      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0654      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0653      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0654      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8265     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0654      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8906      0.00000
     12       7.2947      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8907      0.00000
     12       7.2956      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8907      0.00000
     12       7.2955      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8907      0.00000
     12       7.2955      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8907      0.00000
     12       7.2953      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0108     -0.00000
     11       6.8907      0.00000
     12       7.2956      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4241      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4239      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4236      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4241      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4241      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5715      0.00000
     12       7.4241      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8730      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8688      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8692      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8691      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8692      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7703      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9913     -0.00000
     11       6.2382     -0.00000
     12       6.8691      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31875
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3096      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31875
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3096      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31876
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3096      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31875
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3096      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31876
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3096      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2870      1.00000
      7       1.1382      0.31875
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3097      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84539
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6026      0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84541
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6084      0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84540
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84539
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6048      0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84540
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6046      0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84540
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6026      0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9834      0.89006
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9834      0.89009
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9834      0.89008
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8697      0.00000
     11       7.3250      0.00000
     12       7.7740      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8697      0.00000
     11       7.3250      0.00000
     12       7.7740      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8697      0.00000
     11       7.3250      0.00000
     12       7.7740      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8353     -0.00000
     10       6.1688     -0.00000
     11       6.2950     -0.00000
     12       7.1967      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5920     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0713      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0713      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0713      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08932
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08932
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08933
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08932
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08933
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08932
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1333     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1337     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1339     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1330     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1329     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1346     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9669     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9400     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9569     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       6.0096     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       6.0187     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       6.0049     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8548      1.00000
      7       1.3253     -0.03495
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8548      1.00000
      7       1.3253     -0.03495
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8548      1.00000
      7       1.3253     -0.03495
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17658
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17657
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17658
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17658
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17658
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17658
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92711
      8       1.3009     -0.02909
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92713
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92711
      8       1.3009     -0.02909
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92711
      8       1.3009     -0.02909
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92712
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92712
      8       1.3009     -0.02909
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9340     -0.00000
     12       4.2268     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9340     -0.00000
     12       4.2268     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9340     -0.00000
     12       4.2268     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9340     -0.00000
     12       4.2268     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9340     -0.00000
     12       4.2268     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01902
      9       2.5528     -0.00000
     10       2.6941     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01902
      9       2.5528     -0.00000
     10       2.6940     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01902
      9       2.5528     -0.00000
     10       2.6940     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80452
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7383     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80452
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7339     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80452
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7415     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2434      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0211      1.00000
      2      -2.8827      1.00000
      3      -2.8802      1.00000
      4      -1.7693      1.00000
      5      -1.7334      1.00000
      6      -1.7196      1.00000
      7       0.1473      1.00000
      8       0.1576      1.00000
      9       1.6193     -0.00062
     10       3.3680     -0.00000
     11       3.7188     -0.00000
     12       3.7532     -0.00000
 Fermi energy:         1.0911665858

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9644      1.00000
      2     -11.6891      1.00000
      3      -9.5507      1.00000
      4      -6.7311      1.00000
      5      -3.4434      1.00000
      6       0.5579      1.00047
      7       3.1979     -0.00000
      8       4.3074     -0.00000
      9       5.0521     -0.00000
     10       6.6864      0.00000
     11       6.9290      0.00000
     12       9.7755      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8100      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8104      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9123      1.00000
      2     -11.6369      1.00000
      3      -9.4981      1.00000
      4      -6.6774      1.00000
      5      -3.3906      1.00000
      6       0.6098      1.00155
      7       3.2429     -0.00000
      8       4.3508     -0.00000
      9       5.0947     -0.00000
     10       6.7279      0.00000
     11       6.9707      0.00000
     12       9.8098      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4002      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4002      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7561      1.00000
      2     -11.4804      1.00000
      3      -9.3404      1.00000
      4      -6.5165      1.00000
      5      -3.2325      1.00000
      6       0.7641      1.02024
      7       3.3769     -0.00000
      8       4.4806     -0.00000
      9       5.2219     -0.00000
     10       6.8513      0.00000
     11       7.0946      0.00000
     12      10.4002      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81076
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2294      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81076
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2294      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.4958      1.00000
      2     -11.2194      1.00000
      3      -9.0776      1.00000
      4      -6.2487      1.00000
      5      -2.9697      1.00000
      6       1.0162      0.81076
      7       3.5973     -0.00000
      8       4.6955     -0.00000
      9       5.4312     -0.00000
     10       7.0486      0.00000
     11       7.2928      0.00000
     12       9.2294      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1312      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1418      0.00000
     11       7.4882      0.00000
     12       7.9189      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1312      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1418      0.00000
     11       7.4882      0.00000
     12       7.9189      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1312      1.00000
      2     -10.8540      1.00000
      3      -8.7096      1.00000
      4      -5.8744      1.00000
      5      -2.6031      1.00000
      6       1.3585     -0.03442
      7       3.8969     -0.00000
      8       4.9903     -0.00000
      9       5.7097     -0.00000
     10       7.1418      0.00000
     11       7.4882      0.00000
     12       7.9189      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7064     -0.00000
     10       6.2624     -0.00000
     11       6.7172      0.00000
     12       8.3653      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7064     -0.00000
     10       6.2624     -0.00000
     11       6.7172      0.00000
     12       8.3653      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6624      1.00000
      2     -10.3838      1.00000
      3      -8.2364      1.00000
      4      -5.3943      1.00000
      5      -2.1346      1.00000
      6       1.7773     -0.00001
      7       4.2358     -0.00000
      8       5.2791     -0.00000
      9       5.7064     -0.00000
     10       6.2624     -0.00000
     11       6.7172      0.00000
     12       8.3653      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.5852      0.00000
     12       7.0012      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.5852      0.00000
     12       7.0012      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0889      1.00000
      2      -9.8088      1.00000
      3      -7.6579      1.00000
      4      -4.8097      1.00000
      5      -1.5688      1.00000
      6       2.2175     -0.00000
      7       3.8235     -0.00000
      8       4.9290     -0.00000
      9       5.0730     -0.00000
     10       5.9015     -0.00000
     11       6.5852      0.00000
     12       7.0012      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
      4      -4.1237      1.00000
      5      -0.9216      1.00000
      6       1.9343     -0.00000
      7       3.0091     -0.00000
      8       3.5866     -0.00000
      9       5.1879     -0.00000
     10       5.5905     -0.00000
     11       6.4445     -0.00000
     12       8.5794      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
      4      -4.1237      1.00000
      5      -0.9216      1.00000
      6       1.9343     -0.00000
      7       3.0091     -0.00000
      8       3.5866     -0.00000
      9       5.1879     -0.00000
     10       5.5905     -0.00000
     11       6.4444     -0.00000
     12       8.0830      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4105      1.00000
      2      -9.1286      1.00000
      3      -6.9741      1.00000
      4      -4.1237      1.00000
      5      -0.9216      1.00000
      6       1.9343     -0.00000
      7       3.0091     -0.00000
      8       3.5866     -0.00000
      9       5.1879     -0.00000
     10       5.5905     -0.00000
     11       6.4440     -0.00000
     12       8.0459      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
      4      -3.3459      1.00000
      5      -0.3384      1.00000
      6       0.6210      1.00211
      7       1.7916     -0.00000
      8       3.7081     -0.00000
      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7917      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
      4      -3.3459      1.00000
      5      -0.3384      1.00000
      6       0.6210      1.00211
      7       1.7916     -0.00000
      8       3.7081     -0.00000
      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7914      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6268      1.00000
      2      -8.3428      1.00000
      3      -6.1859      1.00000
      4      -3.3459      1.00000
      5      -0.3384      1.00000
      6       0.6210      1.00211
      7       1.7916     -0.00000
      8       3.7081     -0.00000
      9       3.8614     -0.00000
     10       6.0625     -0.00000
     11       6.3559     -0.00000
     12       8.7701      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
      5      -1.2022      1.00000
      6       0.1373      1.00000
      7       0.9948      0.86866
      8       2.3023     -0.00000
      9       4.4440     -0.00000
     10       5.0003     -0.00000
     11       6.7743      0.00000
     12       8.4930      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
      5      -1.2022      1.00000
      6       0.1373      1.00000
      7       0.9948      0.86866
      8       2.3023     -0.00000
      9       4.4440     -0.00000
     10       5.0003     -0.00000
     11       6.7743      0.00000
     12       8.5013      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7370      1.00000
      2      -7.4514      1.00000
      3      -5.2961      1.00000
      4      -2.5272      1.00000
      5      -1.2022      1.00000
      6       0.1373      1.00000
      7       0.9948      0.86865
      8       2.3023     -0.00000
      9       4.4440     -0.00000
     10       5.0003     -0.00000
     11       6.7744      0.00000
     12       8.4561      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
      4      -2.7718      1.00000
      5      -1.8127      1.00000
      6      -0.8687      1.00000
      7       0.8583      1.03498
      8       1.8531     -0.00000
      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
      4      -2.7718      1.00000
      5      -1.8127      1.00000
      6      -0.8687      1.00000
      7       0.8583      1.03498
      8       1.8531     -0.00000
      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7408      1.00000
      2      -6.4552      1.00000
      3      -4.3159      1.00000
      4      -2.7718      1.00000
      5      -1.8127      1.00000
      6      -0.8687      1.00000
      7       0.8583      1.03498
      8       1.8531     -0.00000
      9       3.5460     -0.00000
     10       5.3552     -0.00000
     11       6.3538     -0.00000
     12       8.3065      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
      4      -3.3726      1.00000
      5      -2.7138      1.00000
      6      -0.6835      1.00000
      7       0.0257      1.00000
      8       2.2606     -0.00000
      9       2.8423     -0.00000
     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
      4      -3.3726      1.00000
      5      -2.7138      1.00000
      6      -0.6835      1.00000
      7       0.0257      1.00000
      8       2.2606     -0.00000
      9       2.8423     -0.00000
     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6384      1.00000
      2      -5.3586      1.00000
      3      -4.1286      1.00000
      4      -3.3726      1.00000
      5      -2.7138      1.00000
      6      -0.6835      1.00000
      7       0.0257      1.00000
      8       2.2606     -0.00000
      9       2.8423     -0.00000
     10       5.1235     -0.00000
     11       6.2612     -0.00000
     12       8.1811      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
      2      -5.3949      1.00000
      3      -4.2204      1.00000
      4      -4.1355      1.00000
      5      -2.3390      1.00000
      6      -1.4731      1.00000
      7       0.8465      1.03546
      8       1.2193      0.06742
      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.0513      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
      2      -5.3949      1.00000
      3      -4.2204      1.00000
      4      -4.1355      1.00000
      5      -2.3390      1.00000
      6      -1.4731      1.00000
      7       0.8465      1.03546
      8       1.2193      0.06744
      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.0874      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4679      1.00000
      2      -5.3949      1.00000
      3      -4.2204      1.00000
      4      -4.1355      1.00000
      5      -2.3390      1.00000
      6      -1.4731      1.00000
      7       0.8465      1.03546
      8       1.2193      0.06743
      9       3.7254     -0.00000
     10       4.1780     -0.00000
     11       6.9721      0.00000
     12       8.1313      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
      4      -6.5701      1.00000
      5      -3.2852      1.00000
      6       0.7130      1.01033
      7       3.3323     -0.00000
      8       4.4374     -0.00000
      9       5.1796     -0.00000
     10       6.8104      0.00000
     11       7.0536      0.00000
     12       9.9096      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
      4      -6.5701      1.00000
      5      -3.2852      1.00000
      6       0.7130      1.01033
      7       3.3323     -0.00000
      8       4.4374     -0.00000
      9       5.1796     -0.00000
     10       6.8104      0.00000
     11       7.0536      0.00000
     12       9.9759      0.00000

 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8082      1.00000
      2     -11.5325      1.00000
      3      -9.3930      1.00000
      4      -6.5701      1.00000
      5      -3.2852      1.00000
      6       0.7130      1.01033
      7       3.3323     -0.00000
      8       4.4374     -0.00000
      9       5.1796     -0.00000
     10       6.8104      0.00000
     11       7.0536      0.00000
     12      10.2665      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.5999      1.00000
      2     -11.3238      1.00000
      3      -9.1827      1.00000
      4      -6.3558      1.00000
      5      -3.0747      1.00000
      6       0.9161      1.01161
      7       3.5097     -0.00000
      8       4.6099     -0.00000
      9       5.3481     -0.00000
     10       6.9722      0.00000
     11       7.2158      0.00000
     12       9.9940      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.2875      1.00000
      2     -11.0106      1.00000
      3      -8.8673      1.00000
      4      -6.0347      1.00000
      5      -2.7600      1.00000
      6       1.2135      0.08612
      7       3.7706     -0.00000
      8       4.8656     -0.00000
      9       5.5949     -0.00000
     10       7.1880      0.00000
     11       7.4344      0.00000
     12       8.4606      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8708      1.00000
      2     -10.5928      1.00000
      3      -8.4468      1.00000
      4      -5.6075      1.00000
      5      -2.3422      1.00000
      6       1.5954     -0.00117
      7       4.1006     -0.00000
      8       5.1904     -0.00000
      9       5.8700     -0.00000
     10       6.6451      0.00000
     11       7.5258      0.00000
     12       7.6147      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7755      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7755      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7754      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7754      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7754      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3496      1.00000
      2     -10.0703      1.00000
      3      -7.9209      1.00000
      4      -5.0751      1.00000
      5      -1.8245      1.00000
      6       2.0384     -0.00000
      7       4.3093     -0.00000
      8       5.0109     -0.00000
      9       5.7045     -0.00000
     10       5.9281     -0.00000
     11       6.4271     -0.00000
     12       7.7754      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.4952      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.4982      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.5014      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.4972      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.4969      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7237      1.00000
      2      -9.4427      1.00000
      3      -7.2897      1.00000
      4      -4.4393      1.00000
      5      -1.2147      1.00000
      6       2.3426     -0.00000
      7       3.2746     -0.00000
      8       4.3036     -0.00000
      9       5.1573     -0.00000
     10       6.1752     -0.00000
     11       6.1898     -0.00000
     12       7.4963      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.9927      1.00000
      2      -8.7096      1.00000
      3      -6.5535      1.00000
      4      -3.7057      1.00000
      5      -0.5519      1.00000
      6       1.2978     -0.02735
      7       2.5527     -0.00000
      8       3.5397     -0.00000
      9       4.5679     -0.00000
     10       5.7923     -0.00000
     11       6.7709      0.00000
     12       7.0306      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24766
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24765
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24767
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24765
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1559      1.00000
      2      -7.8710      1.00000
      3      -5.7140      1.00000
      4      -2.8941      1.00000
      5      -0.5288      1.00000
      6       0.4530      1.00003
      7       1.1570      0.24766
      8       3.0632     -0.00000
      9       4.1498     -0.00000
     10       5.6507     -0.00000
     11       6.4336     -0.00000
     12       7.5264      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2129      1.00000
      2      -6.9269      1.00000
      3      -4.7765      1.00000
      4      -2.2525      1.00000
      5      -1.7185      1.00000
      6      -0.4316      1.00000
      7       1.3404     -0.03543
      8       1.6797     -0.00014
      9       4.2064     -0.00000
     10       4.9940     -0.00000
     11       6.9096      0.00000
     12       7.0713      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1634      1.00000
      2      -5.8796      1.00000
      3      -3.7698      1.00000
      4      -3.4100      1.00000
      5      -2.1664      1.00000
      6      -0.6793      1.00000
      7       0.2774      1.00000
      8       2.3611     -0.00000
      9       2.9312     -0.00000
     10       5.6521     -0.00000
     11       5.8873     -0.00000
     12       7.1767      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0090      1.00000
      2      -4.7538      1.00000
      3      -4.7350      1.00000
      4      -3.5551      1.00000
      5      -2.5692      1.00000
      6      -1.1241      1.00000
      7       0.4820      1.00007
      8       1.6901     -0.00010
      9       3.3845     -0.00000
     10       4.5940     -0.00000
     11       6.5996      0.00000
     12       7.0706      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22825
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5553     -0.00000
     10       7.1647      0.00000
     11       7.4065      0.00000
     12       9.3330      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22825
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5553     -0.00000
     10       7.1647      0.00000
     11       7.4065      0.00000
     12       9.3332      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3396      1.00000
      2     -11.0628      1.00000
      3      -8.9199      1.00000
      4      -6.0882      1.00000
      5      -2.8123      1.00000
      6       1.1647      0.22825
      7       3.7280     -0.00000
      8       4.8236     -0.00000
      9       5.5553     -0.00000
     10       7.1648      0.00000
     11       7.4065      0.00000
     12       9.3320      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9750      1.00000
      2     -10.6973      1.00000
      3      -8.5519      1.00000
      4      -5.7142      1.00000
      5      -2.4463      1.00000
      6       1.5025     -0.00718
      7       4.0243     -0.00000
      8       5.1166     -0.00000
      9       5.8300     -0.00000
     10       7.2668      0.00000
     11       7.5558      0.00000
     12       8.0299      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0686      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3760     -0.00000
     11       6.8355      0.00000
     12       8.0674      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0667      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0646      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3761     -0.00000
     11       6.8355      0.00000
     12       8.0623      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5060      1.00000
      2     -10.2271      1.00000
      3      -8.0787      1.00000
      4      -5.2346      1.00000
      5      -1.9788      1.00000
      6       1.9163     -0.00000
      7       4.3587     -0.00000
      8       5.4060     -0.00000
      9       5.8264     -0.00000
     10       6.3760     -0.00000
     11       6.8355      0.00000
     12       8.0649      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8907      0.00000
     12       7.2495      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8907      0.00000
     12       7.2501      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8906      0.00000
     12       7.2496      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8900      0.00000
     12       7.2446      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8898      0.00000
     12       7.2431      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9325      1.00000
      2      -9.6520      1.00000
      3      -7.5001      1.00000
      4      -4.6506      1.00000
      5      -1.4144      1.00000
      6       2.3523     -0.00000
      7       3.9556     -0.00000
      8       5.0415     -0.00000
      9       5.2020     -0.00000
     10       6.0107     -0.00000
     11       6.8906      0.00000
     12       7.2489      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5729      0.00000
     12       7.4451      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7693      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5729      0.00000
     12       7.4451      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5728      0.00000
     12       7.4445      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5729      0.00000
     12       7.4451      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7694      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5729      0.00000
     12       7.4451      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2539      1.00000
      2      -8.9716      1.00000
      3      -6.8164      1.00000
      4      -3.9656      1.00000
      5      -0.7693      1.00000
      6       2.0795     -0.00000
      7       3.1382     -0.00000
      8       3.7103     -0.00000
      9       5.3043     -0.00000
     10       5.6630     -0.00000
     11       6.5729      0.00000
     12       7.4451      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4700      1.00000
      2      -8.1856      1.00000
      3      -6.0283      1.00000
      4      -3.1898      1.00000
      5      -0.1888      1.00000
      6       0.7704      1.02242
      7       1.9358     -0.00000
      8       3.8262     -0.00000
      9       3.9647     -0.00000
     10       5.9912     -0.00000
     11       6.2380     -0.00000
     12       6.7488      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31871
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3100      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31870
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3100      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31869
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3101      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31871
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3100      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31869
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3100      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.5799      1.00000
      2      -7.2941      1.00000
      3      -5.1390      1.00000
      4      -2.3745      1.00000
      5      -1.0486      1.00000
      6       0.2869      1.00000
      7       1.1382      0.31870
      8       2.4398     -0.00000
      9       4.4830     -0.00000
     10       5.0722     -0.00000
     11       6.0602     -0.00000
     12       7.3100      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84540
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84539
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84538
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84540
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84539
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.5835      1.00000
      2      -6.2980      1.00000
      3      -4.1600      1.00000
      4      -2.6177      1.00000
      5      -1.6615      1.00000
      6      -0.7155      1.00000
      7       1.0013      0.84539
      8       1.9899     -0.00000
      9       3.6390     -0.00000
     10       5.2816     -0.00000
     11       5.8933     -0.00000
     12       6.6018      0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4810      1.00000
      2      -5.2017      1.00000
      3      -3.9722      1.00000
      4      -3.2197      1.00000
      5      -2.5584      1.00000
      6      -0.5320      1.00000
      7       0.1690      1.00000
      8       2.3778     -0.00000
      9       2.9684     -0.00000
     10       5.1652     -0.00000
     11       5.6035     -0.00000
     12       6.4769     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9833      0.89012
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9834      0.89008
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3115      1.00000
      2      -5.2368      1.00000
      3      -4.0626      1.00000
      4      -3.9823      1.00000
      5      -2.1886      1.00000
      6      -1.3163      1.00000
      7       0.9834      0.89009
      8       1.3498     -0.03501
      9       3.8147     -0.00000
     10       4.3062     -0.00000
     11       5.5956     -0.00000
     12       6.6750      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8695      0.00000
     11       7.2381      0.00000
     12       7.7725      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8695      0.00000
     11       7.2381      0.00000
     12       7.7725      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5581      1.00000
      2     -10.2793      1.00000
      3      -8.1313      1.00000
      4      -5.2878      1.00000
      5      -2.0303      1.00000
      6       1.8739     -0.00000
      7       4.3410     -0.00000
      8       5.4308     -0.00000
      9       6.0675     -0.00000
     10       6.8695      0.00000
     11       7.2381      0.00000
     12       7.7725      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1098      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1047      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1113      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1051      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1097      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0368      1.00000
      2      -9.7566      1.00000
      3      -7.6053      1.00000
      4      -4.7564      1.00000
      5      -1.5151      1.00000
      6       2.3046     -0.00000
      7       4.5371     -0.00000
      8       5.2493     -0.00000
      9       5.8345     -0.00000
     10       6.1646     -0.00000
     11       6.2942     -0.00000
     12       7.1099      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4106      1.00000
      2      -9.1287      1.00000
      3      -6.9741      1.00000
      4      -4.1225      1.00000
      5      -0.9095      1.00000
      6       2.6112     -0.00000
      7       3.5216     -0.00000
      8       4.5471     -0.00000
      9       5.2234     -0.00000
     10       5.7771     -0.00000
     11       6.2560     -0.00000
     12       6.8777      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.6792      1.00000
      2      -8.3954      1.00000
      3      -6.2382      1.00000
      4      -3.3920      1.00000
      5      -0.2529      1.00000
      6       1.5921     -0.00119
      7       2.8329     -0.00000
      8       3.6992     -0.00000
      9       4.7824     -0.00000
     10       5.0969     -0.00000
     11       6.0966     -0.00000
     12       6.3400     -0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8420      1.00000
      2      -7.5564      1.00000
      3      -5.3994      1.00000
      4      -2.5858      1.00000
      5      -0.2277      1.00000
      6       0.7447      1.01690
      7       1.4469     -0.01583
      8       3.3202     -0.00000
      9       4.0901     -0.00000
     10       4.9399     -0.00000
     11       5.6402     -0.00000
     12       6.4256     -0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.8985      1.00000
      2      -6.6123      1.00000
      3      -4.4637      1.00000
      4      -1.9516      1.00000
      5      -1.4104      1.00000
      6      -0.1301      1.00000
      7       1.6066     -0.00085
      8       1.9606     -0.00000
      9       4.0058     -0.00000
     10       4.6779     -0.00000
     11       5.2841     -0.00000
     12       6.0449     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8486      1.00000
      2      -5.5655      1.00000
      3      -3.4610      1.00000
      4      -3.0989      1.00000
      5      -1.8609      1.00000
      6      -0.3824      1.00000
      7       0.5629      1.00058
      8       2.5889     -0.00000
      9       3.0990     -0.00000
     10       4.2916     -0.00000
     11       5.3899     -0.00000
     12       6.1374     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.4383      1.00000
      3      -4.4240      1.00000
      4      -3.2473      1.00000
      5      -2.2634      1.00000
      6      -0.8178      1.00000
      7       0.7507      1.01830
      8       1.9182     -0.00000
      9       3.4962     -0.00000
     10       4.2617     -0.00000
     11       4.8852     -0.00000
     12       5.5396     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0596      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0596      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4628      1.00000
      2      -9.1810      1.00000
      3      -7.0267      1.00000
      4      -4.1749      1.00000
      5      -0.9572      1.00000
      6       2.7037     -0.00000
      7       4.1523     -0.00000
      8       4.6095     -0.00000
      9       5.4844     -0.00000
     10       5.5682     -0.00000
     11       5.6504     -0.00000
     12       7.0595      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.7838      1.00000
      2      -8.5002      1.00000
      3      -6.3432      1.00000
      4      -3.4942      1.00000
      5      -0.3228      1.00000
      6       2.5021     -0.00000
      7       3.3208     -0.00000
      8       3.8524     -0.00000
      9       4.3266     -0.00000
     10       5.0252     -0.00000
     11       5.8178     -0.00000
     12       6.1040     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5561      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5560      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9992      1.00000
      2      -7.7138      1.00000
      3      -5.5561      1.00000
      4      -2.7256      1.00000
      5       0.2445      1.00000
      6       1.2091      0.08930
      7       2.3599     -0.00000
      8       3.2392     -0.00000
      9       4.1246     -0.00000
     10       4.3781     -0.00000
     11       5.0307     -0.00000
     12       6.3697     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2340     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2340     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2340     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2341     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1084      1.00000
      2      -6.8221      1.00000
      3      -4.6688      1.00000
      4      -1.9220      1.00000
      5      -0.5932      1.00000
      6       0.7203      1.01231
      7       1.5291     -0.00434
      8       2.8079     -0.00000
      9       3.0173     -0.00000
     10       4.2340     -0.00000
     11       5.1910     -0.00000
     12       5.7853     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1353     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1371     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1357     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1352     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1349     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1114      1.00000
      2      -5.8264      1.00000
      3      -3.6943      1.00000
      4      -2.1563      1.00000
      5      -1.2131      1.00000
      6      -0.2738      1.00000
      7       1.3952     -0.02714
      8       2.2299     -0.00000
      9       2.9006     -0.00000
     10       3.8184     -0.00000
     11       4.6042     -0.00000
     12       6.1355     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.8779     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9214     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.8878     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9127     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       6.0153     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0088      1.00000
      2      -4.7318      1.00000
      3      -3.5040      1.00000
      4      -2.7629      1.00000
      5      -2.0951      1.00000
      6      -0.0865      1.00000
      7       0.5522      1.00045
      8       2.2642     -0.00000
      9       2.9581     -0.00000
     10       3.5868     -0.00000
     11       4.2096     -0.00000
     12       5.9401     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8549      1.00000
      7       1.3253     -0.03494
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8548      1.00000
      7       1.3253     -0.03494
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8426      1.00000
      2      -4.7630      1.00000
      3      -3.5906      1.00000
      4      -3.5230      1.00000
      5      -1.7405      1.00000
      6      -0.8548      1.00000
      7       1.3253     -0.03494
      8       1.5793     -0.00160
      9       2.7449     -0.00000
     10       3.9934     -0.00000
     11       4.4442     -0.00000
     12       4.8810     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0516      1.00000
      2      -7.7663      1.00000
      3      -5.6083      1.00000
      4      -2.7735      1.00000
      5       0.2949      1.00000
      6       2.0876     -0.00000
      7       2.2624     -0.00000
      8       3.3362     -0.00000
      9       3.4242     -0.00000
     10       4.5090     -0.00000
     11       5.2096     -0.00000
     12       5.7813     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17656
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17657
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17657
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17657
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17656
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2134      1.00000
      2      -6.9270      1.00000
      3      -4.7720      1.00000
      4      -1.9834      1.00000
      5       0.3417      1.00000
      6       1.1766      0.17657
      7       1.8834     -0.00000
      8       2.0704     -0.00000
      9       2.9809     -0.00000
     10       3.9131     -0.00000
     11       5.1041     -0.00000
     12       5.2996     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2690      1.00000
      2      -5.9833      1.00000
      3      -3.8414      1.00000
      4      -1.3569      1.00000
      5      -0.8194      1.00000
      6       0.4261      1.00001
      7       1.3408     -0.03541
      8       2.1359     -0.00000
      9       2.5317     -0.00000
     10       3.0262     -0.00000
     11       4.7916     -0.00000
     12       5.4055     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92713
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92711
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92712
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92713
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92711
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2188      1.00000
      2      -4.9382      1.00000
      3      -2.8490      1.00000
      4      -2.4784      1.00000
      5      -1.2566      1.00000
      6       0.1241      1.00000
      7       0.9700      0.92712
      8       1.3009     -0.02910
      9       2.5911     -0.00000
     10       3.3841     -0.00000
     11       4.0078     -0.00000
     12       4.8361     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02545
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02545
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0656      1.00000
      2      -3.8150      1.00000
      3      -3.7976      1.00000
      4      -2.6346      1.00000
      5      -1.6619      1.00000
      6      -0.2273      1.00000
      7       0.8282      1.03406
      8       1.2927     -0.02546
      9       2.4224     -0.00000
     10       3.1285     -0.00000
     11       4.3279     -0.00000
     12       4.7100     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3216      1.00000
      2      -6.0356      1.00000
      3      -3.8911      1.00000
      4      -1.2263      1.00000
      5      -0.0112      1.00000
      6       0.3129      1.00000
      7       1.3523     -0.03469
      8       1.6233     -0.00056
      9       2.4674     -0.00000
     10       3.2748     -0.00000
     11       4.1147     -0.00000
     12       5.7472     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01372
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01372
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01371
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3239      1.00000
      2      -5.0418      1.00000
      3      -2.9286      1.00000
      4      -1.3912      1.00000
      5      -0.5746      1.00000
      6      -0.1469      1.00000
      7       0.4816      1.00007
      8       1.2493      0.01372
      9       2.3096     -0.00000
     10       3.2372     -0.00000
     11       3.6055     -0.00000
     12       5.0390     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2221      1.00000
      2      -3.9517      1.00000
      3      -2.7271      1.00000
      4      -2.0154      1.00000
      5      -1.3416      1.00000
      6      -0.3304      1.00000
      7       0.6051      1.00155
      8       0.6526      1.00398
      9       1.9561     -0.00000
     10       3.2831     -0.00000
     11       3.9341     -0.00000
     12       4.2268     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01901
      9       2.5528     -0.00000
     10       2.6940     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01902
      9       2.5528     -0.00000
     10       2.6941     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0628      1.00000
      2      -3.9754      1.00000
      3      -2.8108      1.00000
      4      -2.7615      1.00000
      5      -1.0300      1.00000
      6      -0.3643      1.00000
      7      -0.1313      1.00000
      8       0.7548      1.01902
      9       2.5528     -0.00000
     10       2.6941     -0.00000
     11       3.5060     -0.00000
     12       5.0844     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80456
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7298     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80455
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7320     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.2744      1.00000
      2      -4.0021      1.00000
      3      -1.9753      1.00000
      4      -1.5920      1.00000
      5      -1.5180      1.00000
      6      -0.5260      1.00000
      7      -0.1531      1.00000
      8       1.0133      0.80457
      9       2.0665     -0.00000
     10       2.5743     -0.00000
     11       4.1735     -0.00000
     12       4.7317     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1247      1.00000
      2      -2.8901      1.00000
      3      -2.8636      1.00000
      4      -1.7332      1.00000
      5      -1.6482      1.00000
      6      -0.9500      1.00000
      7      -0.2435      1.00000
      8       0.5086      1.00015
      9       2.1334     -0.00000
     10       2.6392     -0.00000
     11       3.6839     -0.00000
     12       4.7626     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0211      1.00000
      2      -2.8827      1.00000
      3      -2.8802      1.00000
      4      -1.7693      1.00000
      5      -1.7334      1.00000
      6      -1.7196      1.00000
      7       0.1473      1.00000
      8       0.1576      1.00000
      9       1.6193     -0.00062
     10       3.3680     -0.00000
     11       3.7188     -0.00000
     12       3.7532     -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
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.138  13.896   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.896  23.720   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.877  -0.000   0.000   5.473  -0.000   0.000
 -0.002  -0.003  -0.000   1.878   0.000  -0.000   5.476   0.000
 -0.000  -0.000   0.000   0.000   1.877   0.000   0.000   5.473
  0.000   0.000   5.473  -0.000   0.000  15.814  -0.000   0.000
 -0.006  -0.010  -0.000   5.476   0.000  -0.000  15.823  -0.000
 -0.000  -0.000   0.000   0.000   5.473   0.000  -0.000  15.814
 pseudopotential strength for first ion, spin component:           2
  8.138  13.896  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.896  23.720  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.003   0.000   1.878  -0.000   0.000   5.476  -0.000
  0.000   0.000   0.000  -0.000   1.877   0.000  -0.000   5.473
 -0.000  -0.000   5.473   0.000   0.000  15.814   0.000   0.000
 -0.006  -0.010   0.000   5.476  -0.000   0.000  15.823  -0.000
  0.000   0.000   0.000  -0.000   5.473   0.000  -0.000  15.814
 total augmentation occupancy for first ion, spin component:           1
116.703 -62.321   0.000  -0.158   0.000  -0.000  -0.011  -0.000
-62.321  33.281  -0.000   0.074  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.108   0.000   0.000  -0.327  -0.000  -0.000
 -0.158   0.074   0.000   1.656   0.000  -0.000  -0.255  -0.000
  0.000  -0.000   0.000   0.000   2.108  -0.000  -0.000  -0.327
 -0.000   0.000  -0.327  -0.000  -0.000   0.051   0.000   0.000
 -0.011   0.007  -0.000  -0.255  -0.000   0.000   0.039   0.000
 -0.000   0.000  -0.000  -0.000  -0.327   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.003  -0.002  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.002   0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   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 ----------------------------------------


    FORLOC:  cpu time      0.0013: real time      0.0013
    FORHF :  cpu time   2874.8897: real time   2882.8677
    FORNL :  cpu time      0.4012: real time      0.4026
    FORCOR:  cpu time      1.3365: real time      1.3394
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.278E-05 -.935E-06 0.199E+03   0.443E-13 0.270E-13 -.199E+03   0.397E-05 0.141E-05 -.111E+01
   -.156E-05 0.373E-05 0.668E+02   -.136E-12 -.810E-13 -.668E+02   0.208E-05 -.438E-05 0.244E+00
   -.374E-05 0.433E-06 -.657E+02   0.145E-12 0.780E-13 0.659E+02   0.366E-05 0.404E-06 -.527E+00
   -.782E-05 0.476E-05 -.201E+03   -.528E-13 -.276E-13 0.199E+03   0.778E-05 -.583E-05 0.140E+01
 -----------------------------------------------------------------------------------------------
   -.164E-04 0.861E-05 0.138E-02   0.466E-15 -.363E-14 0.000E+00   0.175E-04 -.840E-05 -.687E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000001      0.000000     -0.100529
      1.42873      0.82488      2.33311         0.000000     -0.000001      0.212176
      2.85746      1.64976      4.66621        -0.000001      0.000000     -0.350154
      0.00000      0.00000      6.94932         0.000000     -0.000000      0.238507
 -----------------------------------------------------------------------------------
    total drift:                                0.000002     -0.000000      0.000185


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.93176369 eV

  energy  without entropy=      -10.93406282  energy(sigma->0) =      -10.93253007
 


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


    POTLOK:  cpu time      1.3346: real time      1.3375


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


 writing wavefunctions
     LOOP+:  cpu time  92239.2027: real time  92509.1325
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0   118921. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        483. kBytes
   wavefun   :      63141. kBytes
   fock_wrk  :       2613. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    92250.070
                            User time (sec):    85138.281
                          System time (sec):     7111.793
                         Elapsed time (sec):    92520.454
  
                   Maximum memory used (kb):      389228.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       410920
                          Major page faults:            0
                 Voluntary context switches:          856
