 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.02.14  17:26:55
 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, Ionic Relaxation
   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 = 2
   NSW = 100
   EDIFFG = -0.005
   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  0.667  0.667  0.000-   2 2.86   2 2.86   2 2.86
   2  0.000  0.000  0.121-   1 2.86   1 2.86   3 2.86   3 2.86   1 2.86   3 2.86
   3  0.333  0.333  0.241-   4 2.86   2 2.86   2 2.86   4 2.86   2 2.86   4 2.86
   4  0.667  0.667  0.362-   3 2.86   5 2.86   5 2.86   3 2.86   3 2.86   5 2.86
   5  0.000  0.000  0.483-   4 2.86   4 2.86   4 2.86
 

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 :     136.7027

  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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569

  position of ions in fractional coordinates (direct lattice)
     0.666666667  0.666666667  0.000000000
     0.000000000  0.000000000  0.120683576
     0.333333333  0.333333333  0.241367153
     0.666666667  0.666666667  0.362050729
     0.000000000  0.000000000  0.482734305

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4
                 5           5

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   11   11    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.031814653 -0.018368198  0.000000000     0.090909091  0.000000000  0.000000000
     0.000000000  0.036736397  0.000000000     0.000000000  0.090909091  0.000000000
     0.000000000  0.000000000  0.051726569     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.036736397  0.036736397  0.051726569

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

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     61 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000  0.000000      2.000000
  0.090909  0.090909  0.000000      2.000000
  0.000000  0.090909  0.000000      2.000000
  0.181818  0.000000  0.000000      2.000000
  0.181818  0.181818  0.000000      2.000000
  0.000000  0.181818  0.000000      2.000000
  0.272727  0.000000  0.000000      2.000000
  0.272727  0.272727  0.000000      2.000000
  0.000000  0.272727  0.000000      2.000000
  0.363636 -0.000000  0.000000      2.000000
  0.363636  0.363636  0.000000      2.000000
  0.000000  0.363636  0.000000      2.000000
  0.454545 -0.000000  0.000000      2.000000
  0.454545  0.454545  0.000000      2.000000
  0.000000  0.454545  0.000000      2.000000
  0.181818  0.090909  0.000000      2.000000
  0.090909  0.181818  0.000000      2.000000
 -0.090909  0.090909  0.000000      2.000000
  0.272727  0.090909  0.000000      2.000000
  0.181818  0.272727  0.000000      2.000000
 -0.090909  0.181818  0.000000      2.000000
  0.181818 -0.090909  0.000000      2.000000
 -0.090909 -0.272727  0.000000      2.000000
 -0.272727 -0.181818  0.000000      2.000000
  0.363636  0.090909  0.000000      2.000000
  0.272727  0.363636  0.000000      2.000000
 -0.090909  0.272727  0.000000      2.000000
  0.272727 -0.090909  0.000000      2.000000
 -0.090909 -0.363636  0.000000      2.000000
 -0.363636 -0.272727  0.000000      2.000000
  0.454545  0.090909  0.000000      2.000000
  0.363636  0.454545  0.000000      2.000000
 -0.090909  0.363636  0.000000      2.000000
  0.363636 -0.090909  0.000000      2.000000
 -0.090909 -0.454545  0.000000      2.000000
 -0.454545 -0.363636  0.000000      2.000000
 -0.454545  0.090909  0.000000      2.000000
  0.454545 -0.454545  0.000000      2.000000
 -0.090909  0.454545  0.000000      2.000000
  0.363636  0.181818  0.000000      2.000000
  0.181818  0.363636  0.000000      2.000000
 -0.181818  0.181818  0.000000      2.000000
  0.454545  0.181818  0.000000      2.000000
  0.272727  0.454545  0.000000      2.000000
 -0.181818  0.272727  0.000000      2.000000
  0.272727 -0.181818  0.000000      2.000000
 -0.181818 -0.454545  0.000000      2.000000
 -0.454545 -0.272727  0.000000      2.000000
 -0.454545  0.181818  0.000000      2.000000
  0.363636 -0.454545  0.000000      2.000000
 -0.181818  0.363636  0.000000      2.000000
  0.363636 -0.181818  0.000000      2.000000
 -0.181818  0.454545  0.000000      2.000000
  0.454545 -0.363636  0.000000      2.000000
 -0.454545  0.272727  0.000000      2.000000
  0.272727 -0.454545  0.000000      2.000000
 -0.272727  0.272727  0.000000      2.000000
 -0.363636  0.272727  0.000000      2.000000
  0.363636 -0.363636  0.000000      2.000000
 -0.272727  0.363636  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.031815 -0.018368  0.000000      2.000000
  0.031815  0.018368  0.000000      2.000000
  0.000000  0.036736  0.000000      2.000000
  0.063629 -0.036736  0.000000      2.000000
  0.063629  0.036736  0.000000      2.000000
  0.000000  0.073473  0.000000      2.000000
  0.095444 -0.055105  0.000000      2.000000
  0.095444  0.055105  0.000000      2.000000
  0.000000  0.110209  0.000000      2.000000
  0.127259 -0.073473  0.000000      2.000000
  0.127259  0.073473  0.000000      2.000000
  0.000000  0.146946  0.000000      2.000000
  0.159073 -0.091841  0.000000      2.000000
  0.159073  0.091841  0.000000      2.000000
  0.000000  0.183682  0.000000      2.000000
  0.063629  0.000000  0.000000      2.000000
  0.031815  0.055105  0.000000      2.000000
 -0.031815  0.055105  0.000000      2.000000
  0.095444 -0.018368  0.000000      2.000000
  0.063629  0.073473  0.000000      2.000000
 -0.031815  0.091841  0.000000      2.000000
  0.063629 -0.073473  0.000000      2.000000
 -0.031815 -0.091841  0.000000      2.000000
 -0.095444 -0.018368  0.000000      2.000000
  0.127259 -0.036736  0.000000      2.000000
  0.095444  0.091841  0.000000      2.000000
 -0.031815  0.128577  0.000000      2.000000
  0.095444 -0.091841  0.000000      2.000000
 -0.031815 -0.128577  0.000000      2.000000
 -0.127259 -0.036736  0.000000      2.000000
  0.159073 -0.055105  0.000000      2.000000
  0.127259  0.110209  0.000000      2.000000
 -0.031815  0.165314  0.000000      2.000000
  0.127259 -0.110209  0.000000      2.000000
 -0.031815 -0.165314  0.000000      2.000000
 -0.159073 -0.055105  0.000000      2.000000
 -0.159073  0.128577  0.000000      2.000000
  0.159073 -0.275523  0.000000      2.000000
 -0.031815  0.202050  0.000000      2.000000
  0.127259 -0.000000  0.000000      2.000000
  0.063629  0.110209  0.000000      2.000000
 -0.063629  0.110209  0.000000      2.000000
  0.159073 -0.018368  0.000000      2.000000
  0.095444  0.128577  0.000000      2.000000
 -0.063629  0.146946  0.000000      2.000000
  0.095444 -0.128577  0.000000      2.000000
 -0.063629 -0.146946  0.000000      2.000000
 -0.159073 -0.018368  0.000000      2.000000
 -0.159073  0.165314  0.000000      2.000000
  0.127259 -0.257155  0.000000      2.000000
 -0.063629  0.183682  0.000000      2.000000
  0.127259 -0.146946  0.000000      2.000000
 -0.063629  0.220418  0.000000      2.000000
  0.159073 -0.238787  0.000000      2.000000
 -0.159073  0.202050  0.000000      2.000000
  0.095444 -0.238787  0.000000      2.000000
 -0.095444  0.165314  0.000000      2.000000
 -0.127259  0.183682  0.000000      2.000000
  0.127259 -0.220418  0.000000      2.000000
 -0.095444  0.202050  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    121 k-points in 1st BZ
 the following    121 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00826446   1 t-inv F
  0.090909 -0.000000  0.000000    0.00826446   2 t-inv F
  0.090909  0.090909  0.000000    0.00826446   3 t-inv F
  0.000000  0.090909  0.000000    0.00826446   4 t-inv F
  0.181818  0.000000  0.000000    0.00826446   5 t-inv F
  0.181818  0.181818  0.000000    0.00826446   6 t-inv F
  0.000000  0.181818  0.000000    0.00826446   7 t-inv F
  0.272727  0.000000  0.000000    0.00826446   8 t-inv F
  0.272727  0.272727  0.000000    0.00826446   9 t-inv F
  0.000000  0.272727  0.000000    0.00826446  10 t-inv F
  0.363636 -0.000000  0.000000    0.00826446  11 t-inv F
  0.363636  0.363636  0.000000    0.00826446  12 t-inv F
  0.000000  0.363636  0.000000    0.00826446  13 t-inv F
  0.454545 -0.000000  0.000000    0.00826446  14 t-inv F
  0.454545  0.454545  0.000000    0.00826446  15 t-inv F
  0.000000  0.454545  0.000000    0.00826446  16 t-inv F
  0.181818  0.090909  0.000000    0.00826446  17 t-inv F
  0.090909  0.181818  0.000000    0.00826446  18 t-inv F
 -0.090909  0.090909  0.000000    0.00826446  19 t-inv F
  0.272727  0.090909  0.000000    0.00826446  20 t-inv F
  0.181818  0.272727  0.000000    0.00826446  21 t-inv F
 -0.090909  0.181818  0.000000    0.00826446  22 t-inv F
  0.181818 -0.090909  0.000000    0.00826446  23 t-inv F
 -0.090909 -0.272727  0.000000    0.00826446  24 t-inv F
 -0.272727 -0.181818  0.000000    0.00826446  25 t-inv F
  0.363636  0.090909  0.000000    0.00826446  26 t-inv F
  0.272727  0.363636  0.000000    0.00826446  27 t-inv F
 -0.090909  0.272727  0.000000    0.00826446  28 t-inv F
  0.272727 -0.090909  0.000000    0.00826446  29 t-inv F
 -0.090909 -0.363636  0.000000    0.00826446  30 t-inv F
 -0.363636 -0.272727  0.000000    0.00826446  31 t-inv F
  0.454545  0.090909  0.000000    0.00826446  32 t-inv F
  0.363636  0.454545  0.000000    0.00826446  33 t-inv F
 -0.090909  0.363636  0.000000    0.00826446  34 t-inv F
  0.363636 -0.090909  0.000000    0.00826446  35 t-inv F
 -0.090909 -0.454545  0.000000    0.00826446  36 t-inv F
 -0.454545 -0.363636  0.000000    0.00826446  37 t-inv F
 -0.454545  0.090909  0.000000    0.00826446  38 t-inv F
  0.454545 -0.454545  0.000000    0.00826446  39 t-inv F
 -0.090909  0.454545  0.000000    0.00826446  40 t-inv F
  0.363636  0.181818  0.000000    0.00826446  41 t-inv F
  0.181818  0.363636  0.000000    0.00826446  42 t-inv F
 -0.181818  0.181818  0.000000    0.00826446  43 t-inv F
  0.454545  0.181818  0.000000    0.00826446  44 t-inv F
  0.272727  0.454545  0.000000    0.00826446  45 t-inv F
 -0.181818  0.272727  0.000000    0.00826446  46 t-inv F
  0.272727 -0.181818  0.000000    0.00826446  47 t-inv F
 -0.181818 -0.454545  0.000000    0.00826446  48 t-inv F
 -0.454545 -0.272727  0.000000    0.00826446  49 t-inv F
 -0.454545  0.181818  0.000000    0.00826446  50 t-inv F
  0.363636 -0.454545  0.000000    0.00826446  51 t-inv F
 -0.181818  0.363636  0.000000    0.00826446  52 t-inv F
  0.363636 -0.181818  0.000000    0.00826446  53 t-inv F
 -0.181818  0.454545  0.000000    0.00826446  54 t-inv F
  0.454545 -0.363636  0.000000    0.00826446  55 t-inv F
 -0.454545  0.272727  0.000000    0.00826446  56 t-inv F
  0.272727 -0.454545  0.000000    0.00826446  57 t-inv F
 -0.272727  0.272727  0.000000    0.00826446  58 t-inv F
 -0.363636  0.272727  0.000000    0.00826446  59 t-inv F
  0.363636 -0.363636  0.000000    0.00826446  60 t-inv F
 -0.272727  0.363636  0.000000    0.00826446  61 t-inv F
 -0.090909  0.000000  0.000000    0.00826446   2 t-inv T
 -0.090909 -0.090909  0.000000    0.00826446   3 t-inv T
  0.000000 -0.090909  0.000000    0.00826446   4 t-inv T
 -0.181818 -0.000000  0.000000    0.00826446   5 t-inv T
 -0.181818 -0.181818  0.000000    0.00826446   6 t-inv T
  0.000000 -0.181818  0.000000    0.00826446   7 t-inv T
 -0.272727  0.000000  0.000000    0.00826446   8 t-inv T
 -0.272727 -0.272727  0.000000    0.00826446   9 t-inv T
  0.000000 -0.272727  0.000000    0.00826446  10 t-inv T
 -0.363636  0.000000  0.000000    0.00826446  11 t-inv T
 -0.363636 -0.363636  0.000000    0.00826446  12 t-inv T
  0.000000 -0.363636  0.000000    0.00826446  13 t-inv T
 -0.454545  0.000000  0.000000    0.00826446  14 t-inv T
 -0.454545 -0.454545  0.000000    0.00826446  15 t-inv T
  0.000000 -0.454545  0.000000    0.00826446  16 t-inv T
 -0.181818 -0.090909  0.000000    0.00826446  17 t-inv T
 -0.090909 -0.181818  0.000000    0.00826446  18 t-inv T
  0.090909 -0.090909  0.000000    0.00826446  19 t-inv T
 -0.272727 -0.090909  0.000000    0.00826446  20 t-inv T
 -0.181818 -0.272727  0.000000    0.00826446  21 t-inv T
  0.090909 -0.181818  0.000000    0.00826446  22 t-inv T
 -0.181818  0.090909  0.000000    0.00826446  23 t-inv T
  0.090909  0.272727  0.000000    0.00826446  24 t-inv T
  0.272727  0.181818  0.000000    0.00826446  25 t-inv T
 -0.363636 -0.090909  0.000000    0.00826446  26 t-inv T
 -0.272727 -0.363636  0.000000    0.00826446  27 t-inv T
  0.090909 -0.272727  0.000000    0.00826446  28 t-inv T
 -0.272727  0.090909  0.000000    0.00826446  29 t-inv T
  0.090909  0.363636  0.000000    0.00826446  30 t-inv T
  0.363636  0.272727  0.000000    0.00826446  31 t-inv T
 -0.454545 -0.090909  0.000000    0.00826446  32 t-inv T
 -0.363636 -0.454545  0.000000    0.00826446  33 t-inv T
  0.090909 -0.363636  0.000000    0.00826446  34 t-inv T
 -0.363636  0.090909  0.000000    0.00826446  35 t-inv T
  0.090909  0.454545  0.000000    0.00826446  36 t-inv T
  0.454545  0.363636  0.000000    0.00826446  37 t-inv T
  0.454545 -0.090909  0.000000    0.00826446  38 t-inv T
 -0.454545  0.454545  0.000000    0.00826446  39 t-inv T
  0.090909 -0.454545  0.000000    0.00826446  40 t-inv T
 -0.363636 -0.181818  0.000000    0.00826446  41 t-inv T
 -0.181818 -0.363636  0.000000    0.00826446  42 t-inv T
  0.181818 -0.181818  0.000000    0.00826446  43 t-inv T
 -0.454545 -0.181818  0.000000    0.00826446  44 t-inv T
 -0.272727 -0.454545  0.000000    0.00826446  45 t-inv T
  0.181818 -0.272727  0.000000    0.00826446  46 t-inv T
 -0.272727  0.181818  0.000000    0.00826446  47 t-inv T
  0.181818  0.454545  0.000000    0.00826446  48 t-inv T
  0.454545  0.272727  0.000000    0.00826446  49 t-inv T
  0.454545 -0.181818  0.000000    0.00826446  50 t-inv T
 -0.363636  0.454545  0.000000    0.00826446  51 t-inv T
  0.181818 -0.363636  0.000000    0.00826446  52 t-inv T
 -0.363636  0.181818  0.000000    0.00826446  53 t-inv T
  0.181818 -0.454545  0.000000    0.00826446  54 t-inv T
 -0.454545  0.363636  0.000000    0.00826446  55 t-inv T
  0.454545 -0.272727  0.000000    0.00826446  56 t-inv T
 -0.272727  0.454545  0.000000    0.00826446  57 t-inv T
  0.272727 -0.272727  0.000000    0.00826446  58 t-inv T
  0.363636 -0.272727  0.000000    0.00826446  59 t-inv T
 -0.363636  0.363636  0.000000    0.00826446  60 t-inv T
  0.272727 -0.363636  0.000000    0.00826446  61 t-inv T


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




 Dimension of arrays:
   k-points           NKPTS =     61   k-points in BZ     NKDIM =    121   number of bands    NBANDS=     16
   number of dos      NEDOS =    301   number of ions     NIONS =      5
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  50400
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  14547
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  126
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  252
   support grid    NGXF=    40 NGYF=   40 NGZF=  252
   ions per type =               5
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.84 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.67 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 31.53*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    =    100    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    100    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    stress and relaxation
   IWAVPR =     11    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 =      15.0000    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 = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      27.34       184.50
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.783754  1.481079  8.357645  0.614270
  Thomas-Fermi vector in A             =   1.887746
 
 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



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


 conjugate gradient relaxation of ions
   using selective dynamics as specified on POSCAR
   WARNING: If single coordinates had been selected the selection of coordinates
            is made according to the corresponding   d i r e c t   coordinates!
            Don't support selection of single cartesian coordinates -- sorry ...
  !
 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            8
 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 :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.008
   0.03181465 -0.01836820  0.00000000       0.017
   0.03181465  0.01836820  0.00000000       0.017
   0.00000000  0.03673640  0.00000000       0.017
   0.06362931 -0.03673640  0.00000000       0.017
   0.06362931  0.03673640  0.00000000       0.017
   0.00000000  0.07347279  0.00000000       0.017
   0.09544396 -0.05510460  0.00000000       0.017
   0.09544396  0.05510460  0.00000000       0.017
   0.00000000  0.11020919  0.00000000       0.017
   0.12725861 -0.07347279  0.00000000       0.017
   0.12725861  0.07347279  0.00000000       0.017
   0.00000000  0.14694559  0.00000000       0.017
   0.15907326 -0.09184099  0.00000000       0.017
   0.15907326  0.09184099  0.00000000       0.017
   0.00000000  0.18368198  0.00000000       0.017
   0.06362931  0.00000000  0.00000000       0.017
   0.03181465  0.05510460  0.00000000       0.017
  -0.03181465  0.05510460  0.00000000       0.017
   0.09544396 -0.01836820  0.00000000       0.017
   0.06362931  0.07347279  0.00000000       0.017
  -0.03181465  0.09184099  0.00000000       0.017
   0.06362931 -0.07347279  0.00000000       0.017
  -0.03181465 -0.09184099  0.00000000       0.017
  -0.09544396 -0.01836820  0.00000000       0.017
   0.12725861 -0.03673640  0.00000000       0.017
   0.09544396  0.09184099  0.00000000       0.017
  -0.03181465  0.12857739  0.00000000       0.017
   0.09544396 -0.09184099  0.00000000       0.017
  -0.03181465 -0.12857739  0.00000000       0.017
  -0.12725861 -0.03673640  0.00000000       0.017
   0.15907326 -0.05510460  0.00000000       0.017
   0.12725861  0.11020919  0.00000000       0.017
  -0.03181465  0.16531379  0.00000000       0.017
   0.12725861 -0.11020919  0.00000000       0.017
  -0.03181465 -0.16531379  0.00000000       0.017
  -0.15907326 -0.05510460  0.00000000       0.017
  -0.15907326  0.12857739  0.00000000       0.017
   0.15907326 -0.27552298  0.00000000       0.017
  -0.03181465  0.20205018  0.00000000       0.017
   0.12725861 -0.00000000  0.00000000       0.017
   0.06362931  0.11020919  0.00000000       0.017
  -0.06362931  0.11020919  0.00000000       0.017
   0.15907326 -0.01836820  0.00000000       0.017
   0.09544396  0.12857739  0.00000000       0.017
  -0.06362931  0.14694559  0.00000000       0.017
   0.09544396 -0.12857739  0.00000000       0.017
  -0.06362931 -0.14694559  0.00000000       0.017
  -0.15907326 -0.01836820  0.00000000       0.017
  -0.15907326  0.16531379  0.00000000       0.017
   0.12725861 -0.25715478  0.00000000       0.017
  -0.06362931  0.18368198  0.00000000       0.017
   0.12725861 -0.14694559  0.00000000       0.017
  -0.06362931  0.22041838  0.00000000       0.017
   0.15907326 -0.23878658  0.00000000       0.017
  -0.15907326  0.20205018  0.00000000       0.017
   0.09544396 -0.23878658  0.00000000       0.017
  -0.09544396  0.16531379  0.00000000       0.017
  -0.12725861  0.18368198  0.00000000       0.017
   0.12725861 -0.22041838  0.00000000       0.017
  -0.09544396  0.20205018  0.00000000       0.017
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.008
   0.09090909 -0.00000000  0.00000000       0.017
   0.09090909  0.09090909  0.00000000       0.017
   0.00000000  0.09090909  0.00000000       0.017
   0.18181818  0.00000000  0.00000000       0.017
   0.18181818  0.18181818  0.00000000       0.017
   0.00000000  0.18181818  0.00000000       0.017
   0.27272727  0.00000000  0.00000000       0.017
   0.27272727  0.27272727  0.00000000       0.017
   0.00000000  0.27272727  0.00000000       0.017
   0.36363636 -0.00000000  0.00000000       0.017
   0.36363636  0.36363636  0.00000000       0.017
   0.00000000  0.36363636  0.00000000       0.017
   0.45454545 -0.00000000  0.00000000       0.017
   0.45454545  0.45454545  0.00000000       0.017
   0.00000000  0.45454545  0.00000000       0.017
   0.18181818  0.09090909  0.00000000       0.017
   0.09090909  0.18181818  0.00000000       0.017
  -0.09090909  0.09090909  0.00000000       0.017
   0.27272727  0.09090909  0.00000000       0.017
   0.18181818  0.27272727  0.00000000       0.017
  -0.09090909  0.18181818  0.00000000       0.017
   0.18181818 -0.09090909  0.00000000       0.017
  -0.09090909 -0.27272727  0.00000000       0.017
  -0.27272727 -0.18181818  0.00000000       0.017
   0.36363636  0.09090909  0.00000000       0.017
   0.27272727  0.36363636  0.00000000       0.017
  -0.09090909  0.27272727  0.00000000       0.017
   0.27272727 -0.09090909  0.00000000       0.017
  -0.09090909 -0.36363636  0.00000000       0.017
  -0.36363636 -0.27272727  0.00000000       0.017
   0.45454545  0.09090909  0.00000000       0.017
   0.36363636  0.45454545  0.00000000       0.017
  -0.09090909  0.36363636  0.00000000       0.017
   0.36363636 -0.09090909  0.00000000       0.017
  -0.09090909 -0.45454545  0.00000000       0.017
  -0.45454545 -0.36363636  0.00000000       0.017
  -0.45454545  0.09090909  0.00000000       0.017
   0.45454545 -0.45454545  0.00000000       0.017
  -0.09090909  0.45454545  0.00000000       0.017
   0.36363636  0.18181818  0.00000000       0.017
   0.18181818  0.36363636  0.00000000       0.017
  -0.18181818  0.18181818  0.00000000       0.017
   0.45454545  0.18181818  0.00000000       0.017
   0.27272727  0.45454545  0.00000000       0.017
  -0.18181818  0.27272727  0.00000000       0.017
   0.27272727 -0.18181818  0.00000000       0.017
  -0.18181818 -0.45454545  0.00000000       0.017
  -0.45454545 -0.27272727  0.00000000       0.017
  -0.45454545  0.18181818  0.00000000       0.017
   0.36363636 -0.45454545  0.00000000       0.017
  -0.18181818  0.36363636  0.00000000       0.017
   0.36363636 -0.18181818  0.00000000       0.017
  -0.18181818  0.45454545  0.00000000       0.017
   0.45454545 -0.36363636  0.00000000       0.017
  -0.45454545  0.27272727  0.00000000       0.017
   0.27272727 -0.45454545  0.00000000       0.017
  -0.27272727  0.27272727  0.00000000       0.017
  -0.36363636  0.27272727  0.00000000       0.017
   0.36363636 -0.36363636  0.00000000       0.017
  -0.27272727  0.36363636  0.00000000       0.017
 
 position of ions in fractional coordinates (direct lattice) 
   0.66666667  0.66666667  0.00000000
   0.00000000  0.00000000  0.12068358
   0.33333333  0.33333333  0.24136715
   0.66666667  0.66666667  0.36205073
   0.00000000  0.00000000  0.48273431
 
 position of ions in cartesian coordinates  (Angst):
   2.85745977  1.64975517  0.00000000
   0.00000000  0.00000000  2.33310613
   1.42872988  0.82487758  4.66621226
   2.85745977  1.64975517  6.99931839
   0.00000000  0.00000000  9.33242453
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2523
 k-point   2 :   0.0909-0.0000 0.0000  plane waves:    2502
 k-point   3 :   0.0909 0.0909 0.0000  plane waves:    2502
 k-point   4 :   0.0000 0.0909 0.0000  plane waves:    2502
 k-point   5 :   0.1818 0.0000 0.0000  plane waves:    2486
 k-point   6 :   0.1818 0.1818 0.0000  plane waves:    2486
 k-point   7 :   0.0000 0.1818 0.0000  plane waves:    2486
 k-point   8 :   0.2727 0.0000 0.0000  plane waves:    2494
 k-point   9 :   0.2727 0.2727 0.0000  plane waves:    2494
 k-point  10 :   0.0000 0.2727 0.0000  plane waves:    2494
 k-point  11 :   0.3636-0.0000 0.0000  plane waves:    2490
 k-point  12 :   0.3636 0.3636 0.0000  plane waves:    2490
 k-point  13 :   0.0000 0.3636 0.0000  plane waves:    2490
 k-point  14 :   0.4545-0.0000 0.0000  plane waves:    2488
 k-point  15 :   0.4545 0.4545 0.0000  plane waves:    2488
 k-point  16 :   0.0000 0.4545 0.0000  plane waves:    2488
 k-point  17 :   0.1818 0.0909 0.0000  plane waves:    2507
 k-point  18 :   0.0909 0.1818 0.0000  plane waves:    2507
 k-point  19 :  -0.0909 0.0909 0.0000  plane waves:    2507
 k-point  20 :   0.2727 0.0909 0.0000  plane waves:    2496
 k-point  21 :   0.1818 0.2727 0.0000  plane waves:    2496
 k-point  22 :  -0.0909 0.1818 0.0000  plane waves:    2496
 k-point  23 :   0.1818-0.0909 0.0000  plane waves:    2496
 k-point  24 :  -0.0909-0.2727 0.0000  plane waves:    2496
 k-point  25 :  -0.2727-0.1818 0.0000  plane waves:    2496
 k-point  26 :   0.3636 0.0909 0.0000  plane waves:    2480
 k-point  27 :   0.2727 0.3636 0.0000  plane waves:    2480
 k-point  28 :  -0.0909 0.2727 0.0000  plane waves:    2480
 k-point  29 :   0.2727-0.0909 0.0000  plane waves:    2480
 k-point  30 :  -0.0909-0.3636 0.0000  plane waves:    2480
 k-point  31 :  -0.3636-0.2727 0.0000  plane waves:    2480
 k-point  32 :   0.4545 0.0909 0.0000  plane waves:    2479
 k-point  33 :   0.3636 0.4545 0.0000  plane waves:    2479
 k-point  34 :  -0.0909 0.3636 0.0000  plane waves:    2479
 k-point  35 :   0.3636-0.0909 0.0000  plane waves:    2479
 k-point  36 :  -0.0909-0.4545 0.0000  plane waves:    2479
 k-point  37 :  -0.4545-0.3636 0.0000  plane waves:    2479
 k-point  38 :  -0.4545 0.0909 0.0000  plane waves:    2474
 k-point  39 :   0.4545-0.4545 0.0000  plane waves:    2474
 k-point  40 :  -0.0909 0.4545 0.0000  plane waves:    2474
 k-point  41 :   0.3636 0.1818 0.0000  plane waves:    2485
 k-point  42 :   0.1818 0.3636 0.0000  plane waves:    2485
 k-point  43 :  -0.1818 0.1818 0.0000  plane waves:    2485
 k-point  44 :   0.4545 0.1818 0.0000  plane waves:    2486
 k-point  45 :   0.2727 0.4545 0.0000  plane waves:    2486
 k-point  46 :  -0.1818 0.2727 0.0000  plane waves:    2486
 k-point  47 :   0.2727-0.1818 0.0000  plane waves:    2486
 k-point  48 :  -0.1818-0.4545 0.0000  plane waves:    2486
 k-point  49 :  -0.4545-0.2727 0.0000  plane waves:    2486
 k-point  50 :  -0.4545 0.1818 0.0000  plane waves:    2467
 k-point  51 :   0.3636-0.4545 0.0000  plane waves:    2467
 k-point  52 :  -0.1818 0.3636 0.0000  plane waves:    2467
 k-point  53 :   0.3636-0.1818 0.0000  plane waves:    2467
 k-point  54 :  -0.1818 0.4545 0.0000  plane waves:    2467
 k-point  55 :   0.4545-0.3636 0.0000  plane waves:    2467
 k-point  56 :  -0.4545 0.2727 0.0000  plane waves:    2469
 k-point  57 :   0.2727-0.4545 0.0000  plane waves:    2469
 k-point  58 :  -0.2727 0.2727 0.0000  plane waves:    2469
 k-point  59 :  -0.3636 0.2727 0.0000  plane waves:    2454
 k-point  60 :   0.3636-0.3636 0.0000  plane waves:    2454
 k-point  61 :  -0.2727 0.3636 0.0000  plane waves:    2454

 maximum and minimum number of plane-waves per node :       638      600

 maximum number of plane-waves:      2523
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   31
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -31


 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 = 96

 
 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   :        447.12 KBytes
  max/ min on nodes  :        131.34         92.67

 Maximum index for augmentation-charges in exchange          388
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0    53293. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       2581. kBytes
   fftplans  :       1672. kBytes
   grid      :       3201. kBytes
   one-center:         12. kBytes
   HF        :          4. kBytes
   nonlr-proj:        271. kBytes
   wavefun   :      15552. kBytes
 
     INWAV:  cpu time      0.4599: real time      0.4612
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 63
  (NGX  = 40   NGY  = 40   NGZ  =252)
  gives a total of   5103 points

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


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


 Maximum index for augmentation-charges         1164 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.344
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x 9

    FEWALD:  cpu time      0.0014: real time      0.0014


--------------------------------------- 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      0.7927: real time      0.7953
    SETDIJ:  cpu time      0.7691: real time      0.7707
    TRIAL :  cpu time    267.6407: real time    268.7137
    CORREC:  cpu time      0.0016: real time      0.0016
    CHARGE:  cpu time      0.0853: real time      0.0856
    --------------------------------------------
      LOOP:  cpu time    269.2923: real time    270.4071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1289213E+02  (-0.1546275E+00)
 number of electron      15.0000000 magnetization       0.0000091
 augmentation part       -0.2095072 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.14727070
  -exchange      EXHF   =        33.28645135
  -V(xc)+E(xc)   XCENC  =       -83.63513416
  PAW double counting   =       430.29781438     -329.36422243
  entropy T*S    EENTRO =        -0.00403832
  eigenvalues    EBANDS =       -33.52481795
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -12.89212869 eV

  energy without entropy =      -12.88809037  energy(sigma->0) =      -12.89078258
  exchange ACFDT corr.  =        -0.00659121  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4246: real time      0.4261
    SETDIJ:  cpu time      0.7664: real time      0.7678
    TRIAL :  cpu time    265.2561: real time    266.3229
    CORREC:  cpu time      0.0017: real time      0.0018
    CHARGE:  cpu time      0.0850: real time      0.0853
    --------------------------------------------
      LOOP:  cpu time    266.5342: real time    267.6041

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1428875E+00  (-0.1926330E+00)
 number of electron      15.0000000 magnetization       0.0000059
 augmentation part       -0.1816558 magnetization      -0.0000081

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.77097186
  -exchange      EXHF   =        33.29167113
  -V(xc)+E(xc)   XCENC  =       -83.60937816
  PAW double counting   =       635.61877432     -534.66631473
  entropy T*S    EENTRO =        -0.00435232
  eigenvalues    EBANDS =       -34.09358769
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.03501616 eV

  energy without entropy =      -13.03066385  energy(sigma->0) =      -13.03356539
  exchange ACFDT corr.  =        -0.00657790  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4245: real time      0.4259
    SETDIJ:  cpu time      0.7659: real time      0.7674
    TRIAL :  cpu time    264.2382: real time    265.2440
    CORREC:  cpu time      0.0017: real time      0.0017
    CHARGE:  cpu time      0.0852: real time      0.0855
    --------------------------------------------
      LOOP:  cpu time    265.5157: real time    266.5247

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1731326E+00  (-0.1737053E+00)
 number of electron      15.0000000 magnetization       0.0000011
 augmentation part       -0.1529090 magnetization      -0.0000161

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.51082913
  -exchange      EXHF   =        33.30247252
  -V(xc)+E(xc)   XCENC  =       -83.57475883
  PAW double counting   =      1240.35007340    -1139.37406984
  entropy T*S    EENTRO =        -0.00460428
  eigenvalues    EBANDS =       -34.59551368
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.20814873 eV

  energy without entropy =      -13.20354446  energy(sigma->0) =      -13.20661397
  exchange ACFDT corr.  =        -0.00658405  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4243: real time      0.4257
    SETDIJ:  cpu time      0.7645: real time      0.7659
    TRIAL :  cpu time    265.7780: real time    266.7588
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0847: real time      0.0851
    --------------------------------------------
      LOOP:  cpu time    267.0537: real time    268.0376

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1554624E+00  (-0.1444132E+00)
 number of electron      15.0000000 magnetization      -0.0000050
 augmentation part       -0.1266996 magnetization      -0.0000225

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.48578123
  -exchange      EXHF   =        33.31666671
  -V(xc)+E(xc)   XCENC  =       -83.54343930
  PAW double counting   =      2641.22313700    -2540.22808542
  entropy T*S    EENTRO =        -0.00475257
  eigenvalues    EBANDS =       -34.84033374
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.36361110 eV

  energy without entropy =      -13.35885853  energy(sigma->0) =      -13.36202691
  exchange ACFDT corr.  =        -0.00652009  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4217: real time      0.4231
    SETDIJ:  cpu time      0.7642: real time      0.7656
    TRIAL :  cpu time    264.6403: real time    265.6048
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0860: real time      0.0863
    --------------------------------------------
      LOOP:  cpu time    265.9143: real time    266.8820

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1306650E+00  (-0.1199431E+00)
 number of electron      15.0000000 magnetization      -0.0000125
 augmentation part       -0.1039725 magnetization      -0.0000251

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.61591927
  -exchange      EXHF   =        33.33011341
  -V(xc)+E(xc)   XCENC  =       -83.52249681
  PAW double counting   =      5303.95122793    -5202.94641292
  entropy T*S    EENTRO =        -0.00479917
  eigenvalues    EBANDS =       -34.88486505
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.49427613 eV

  energy without entropy =      -13.48947696  energy(sigma->0) =      -13.49267641
  exchange ACFDT corr.  =        -0.00636180  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4220: real time      0.4234
    SETDIJ:  cpu time      0.7643: real time      0.7657
    TRIAL :  cpu time    265.4674: real time    266.4593
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0859: real time      0.0862
    --------------------------------------------
      LOOP:  cpu time    266.7418: real time    267.7368

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1092052E+00  (-0.9795271E-01)
 number of electron      15.0000000 magnetization      -0.0000209
 augmentation part       -0.0843173 magnetization      -0.0000219

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.78746397
  -exchange      EXHF   =        33.33908333
  -V(xc)+E(xc)   XCENC  =       -83.51348658
  PAW double counting   =      9620.75834147    -9519.75339495
  entropy T*S    EENTRO =        -0.00477142
  eigenvalues    EBANDS =       -34.84059057
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.60348128 eV

  energy without entropy =      -13.59870986  energy(sigma->0) =      -13.60189081
  exchange ACFDT corr.  =        -0.00620182  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4232: real time      0.4246
    SETDIJ:  cpu time      0.7644: real time      0.7658
    TRIAL :  cpu time    255.2392: real time    256.2142
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0861: real time      0.0864
    --------------------------------------------
      LOOP:  cpu time    256.5151: real time    257.4933

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8859374E-01  (-0.7596887E-01)
 number of electron      15.0000000 magnetization      -0.0000297
 augmentation part       -0.0669374 magnetization      -0.0000137

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.91599371
  -exchange      EXHF   =        33.34223062
  -V(xc)+E(xc)   XCENC  =       -83.51365389
  PAW double counting   =     15864.23002258   -15763.23193032
  entropy T*S    EENTRO =        -0.00470313
  eigenvalues    EBANDS =       -34.79680803
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.69207503 eV

  energy without entropy =      -13.68737190  energy(sigma->0) =      -13.69050732
  exchange ACFDT corr.  =        -0.00602751  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4230: real time      0.4244
    SETDIJ:  cpu time      0.7648: real time      0.7663
    TRIAL :  cpu time    255.0566: real time    256.0161
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0852: real time      0.0855
    --------------------------------------------
      LOOP:  cpu time    256.3318: real time    257.2945

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6778850E-01  (-0.5536706E-01)
 number of electron      15.0000000 magnetization      -0.0000384
 augmentation part       -0.0512903 magnetization      -0.0000040

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.96949316
  -exchange      EXHF   =        33.34088967
  -V(xc)+E(xc)   XCENC  =       -83.51822839
  PAW double counting   =     24208.47444492   -24107.48631606
  entropy T*S    EENTRO =        -0.00461659
  eigenvalues    EBANDS =       -34.79528653
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.75986352 eV

  energy without entropy =      -13.75524693  energy(sigma->0) =      -13.75832466
  exchange ACFDT corr.  =        -0.00585928  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4232: real time      0.4246
    SETDIJ:  cpu time      0.7676: real time      0.7691
    TRIAL :  cpu time    255.1595: real time    256.1165
    CORREC:  cpu time      0.0019: real time      0.0020
    CHARGE:  cpu time      0.0861: real time      0.0865
    --------------------------------------------
      LOOP:  cpu time    256.4386: real time    257.3989

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4870326E-01  (-0.3791160E-01)
 number of electron      15.0000000 magnetization      -0.0000467
 augmentation part       -0.0373856 magnetization       0.0000029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.97568519
  -exchange      EXHF   =        33.33779777
  -V(xc)+E(xc)   XCENC  =       -83.52290490
  PAW double counting   =     34679.70797322   -34578.72917838
  entropy T*S    EENTRO =        -0.00451958
  eigenvalues    EBANDS =       -34.82078187
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.80856679 eV

  energy without entropy =      -13.80404721  energy(sigma->0) =      -13.80706026
  exchange ACFDT corr.  =        -0.00570532  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4224: real time      0.4238
    SETDIJ:  cpu time      0.7683: real time      0.7698
    TRIAL :  cpu time    255.5951: real time    256.5596
    CORREC:  cpu time      0.0019: real time      0.0019
    CHARGE:  cpu time      0.0870: real time      0.0873
    --------------------------------------------
      LOOP:  cpu time    256.8750: real time    257.8428

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3280945E-01  (-0.2397570E-01)
 number of electron      15.0000000 magnetization      -0.0000543
 augmentation part       -0.0256710 magnetization       0.0000050

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.98485518
  -exchange      EXHF   =        33.33529909
  -V(xc)+E(xc)   XCENC  =       -83.52547571
  PAW double counting   =     46928.95571381   -46827.98391252
  entropy T*S    EENTRO =        -0.00441605
  eigenvalues    EBANDS =       -34.83245530
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.84137623 eV

  energy without entropy =      -13.83696019  energy(sigma->0) =      -13.83990422
  exchange ACFDT corr.  =        -0.00556430  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4232: real time      0.4246
    SETDIJ:  cpu time      0.7668: real time      0.7683
    TRIAL :  cpu time    254.9595: real time    255.9082
    CORREC:  cpu time      0.0020: real time      0.0020
    CHARGE:  cpu time      0.0903: real time      0.0906
    --------------------------------------------
      LOOP:  cpu time    256.2421: real time    257.1941

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2031610E-01  (-0.1370424E-01)
 number of electron      15.0000000 magnetization      -0.0000611
 augmentation part       -0.0165223 magnetization       0.0000033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.01414058
  -exchange      EXHF   =        33.33418366
  -V(xc)+E(xc)   XCENC  =       -83.52607680
  PAW double counting   =     59989.27141556   -59888.30444424
  entropy T*S    EENTRO =        -0.00431258
  eigenvalues    EBANDS =       -34.81704304
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.86169233 eV

  energy without entropy =      -13.85737975  energy(sigma->0) =      -13.86025480
  exchange ACFDT corr.  =        -0.00543765  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4231: real time      0.4245
    SETDIJ:  cpu time      0.7656: real time      0.7670
    TRIAL :  cpu time    254.7913: real time    255.7355
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0905: real time      0.0909
    --------------------------------------------
      LOOP:  cpu time    256.0729: real time    257.0203

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1132242E-01  (-0.7007216E-02)
 number of electron      15.0000000 magnetization      -0.0000670
 augmentation part       -0.0099260 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.04412289
  -exchange      EXHF   =        33.33393281
  -V(xc)+E(xc)   XCENC  =       -83.52603958
  PAW double counting   =     72497.90441415   -72396.94087024
  entropy T*S    EENTRO =        -0.00421517
  eigenvalues    EBANDS =       -34.79484557
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87301475 eV

  energy without entropy =      -13.86879957  energy(sigma->0) =      -13.87160969
  exchange ACFDT corr.  =        -0.00532519  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4223: real time      0.4237
    SETDIJ:  cpu time      0.7666: real time      0.7681
    TRIAL :  cpu time    255.5110: real time    256.5026
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0848: real time      0.0851
    --------------------------------------------
      LOOP:  cpu time    256.7871: real time    257.7820

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5613532E-02  (-0.3173861E-02)
 number of electron      15.0000000 magnetization      -0.0000725
 augmentation part       -0.0055174 magnetization      -0.0000052

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.05918260
  -exchange      EXHF   =        33.33381824
  -V(xc)+E(xc)   XCENC  =       -83.52640745
  PAW double counting   =     83230.47123942   -83129.51075155
  entropy T*S    EENTRO =        -0.00412605
  eigenvalues    EBANDS =       -34.78195833
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87862828 eV

  energy without entropy =      -13.87450223  energy(sigma->0) =      -13.87725293
  exchange ACFDT corr.  =        -0.00522776  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4218: real time      0.4232
    SETDIJ:  cpu time      0.7656: real time      0.7669
    TRIAL :  cpu time    255.5826: real time    256.5790
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0847: real time      0.0851
    --------------------------------------------
      LOOP:  cpu time    256.8571: real time    257.8565

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2443827E-02  (-0.1260774E-02)
 number of electron      15.0000000 magnetization      -0.0000774
 augmentation part       -0.0027747 magnetization      -0.0000081

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.06289925
  -exchange      EXHF   =        33.33357296
  -V(xc)+E(xc)   XCENC  =       -83.52730952
  PAW double counting   =     91496.26961257   -91395.31182011
  entropy T*S    EENTRO =        -0.00404518
  eigenvalues    EBANDS =       -34.77693186
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88107210 eV

  energy without entropy =      -13.87702692  energy(sigma->0) =      -13.87972371
  exchange ACFDT corr.  =        -0.00514413  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4221: real time      0.4235
    SETDIJ:  cpu time      0.7660: real time      0.7673
    TRIAL :  cpu time    253.4517: real time    254.4285
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0851: real time      0.0854
    --------------------------------------------
      LOOP:  cpu time    254.7273: real time    255.7071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9218988E-03  (-0.4530560E-03)
 number of electron      15.0000000 magnetization      -0.0000818
 augmentation part       -0.0012123 magnetization      -0.0000092

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.06425478
  -exchange      EXHF   =        33.33332763
  -V(xc)+E(xc)   XCENC  =       -83.52830780
  PAW double counting   =     97206.66233592   -97105.70675891
  entropy T*S    EENTRO =        -0.00397211
  eigenvalues    EBANDS =       -34.77312004
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88199400 eV

  energy without entropy =      -13.87802190  energy(sigma->0) =      -13.88066997
  exchange ACFDT corr.  =        -0.00507217  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4231: real time      0.4246
    SETDIJ:  cpu time      0.7651: real time      0.7664
    TRIAL :  cpu time    254.6811: real time    255.6610
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.0853: real time      0.0856
    --------------------------------------------
      LOOP:  cpu time    255.9570: real time    256.9401

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3186486E-03  (-0.1806843E-03)
 number of electron      15.0000000 magnetization      -0.0000854
 augmentation part       -0.0004340 magnetization      -0.0000088

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.06634332
  -exchange      EXHF   =        33.33325931
  -V(xc)+E(xc)   XCENC  =       -83.52901320
  PAW double counting   =    100683.66554092  -100582.71142382
  entropy T*S    EENTRO =        -0.00390670
  eigenvalues    EBANDS =       -34.76918959
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88231265 eV

  energy without entropy =      -13.87840596  energy(sigma->0) =      -13.88101042
  exchange ACFDT corr.  =        -0.00501045  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4220: real time      0.4234
    SETDIJ:  cpu time      0.7675: real time      0.7689
    TRIAL :  cpu time    254.5317: real time    255.5149
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0866: real time      0.0869
    --------------------------------------------
      LOOP:  cpu time    255.8103: real time    256.7966

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1331508E-03  (-0.1062587E-03)
 number of electron      15.0000000 magnetization      -0.0000884
 augmentation part       -0.0001438 magnetization      -0.0000077

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.06832076
  -exchange      EXHF   =        33.33338267
  -V(xc)+E(xc)   XCENC  =       -83.52936693
  PAW double counting   =    102487.26091298  -102386.30769215
  entropy T*S    EENTRO =        -0.00384887
  eigenvalues    EBANDS =       -34.76628408
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88244580 eV

  energy without entropy =      -13.87859694  energy(sigma->0) =      -13.88116285
  exchange ACFDT corr.  =        -0.00495717  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4223: real time      0.4237
    SETDIJ:  cpu time      0.7662: real time      0.7676
    TRIAL :  cpu time    253.5925: real time    254.5450
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.0864: real time      0.0867
    --------------------------------------------
      LOOP:  cpu time    254.8700: real time    255.8257

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8959449E-04  (-0.8401481E-04)
 number of electron      15.0000000 magnetization      -0.0000905
 augmentation part       -0.0001243 magnetization      -0.0000062

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.06943361
  -exchange      EXHF   =        33.33361632
  -V(xc)+E(xc)   XCENC  =       -83.52950558
  PAW double counting   =    103197.14520126  -103096.19221152
  entropy T*S    EENTRO =        -0.00379820
  eigenvalues    EBANDS =       -34.76518256
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88253540 eV

  energy without entropy =      -13.87873720  energy(sigma->0) =      -13.88126933
  exchange ACFDT corr.  =        -0.00491160  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4219: real time      0.4233
    SETDIJ:  cpu time      0.7688: real time      0.7702
    TRIAL :  cpu time    254.0765: real time    255.0680
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.0859: real time      0.0862
    --------------------------------------------
      LOOP:  cpu time    255.3555: real time    256.3502

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7657238E-04  (-0.6911134E-04)
 number of electron      15.0000000 magnetization      -0.0000920
 augmentation part       -0.0002348 magnetization      -0.0000046

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07002111
  -exchange      EXHF   =        33.33388026
  -V(xc)+E(xc)   XCENC  =       -83.52956078
  PAW double counting   =    103293.54621303  -103192.59332746
  entropy T*S    EENTRO =        -0.00375404
  eigenvalues    EBANDS =       -34.76482687
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88261197 eV

  energy without entropy =      -13.87885793  energy(sigma->0) =      -13.88136062
  exchange ACFDT corr.  =        -0.00487270  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7662: real time      0.7676
    TRIAL :  cpu time    254.6213: real time    255.6066
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.0863: real time      0.0867
    --------------------------------------------
      LOOP:  cpu time    255.8980: real time    256.8864

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6475425E-04  (-0.5465861E-04)
 number of electron      15.0000000 magnetization      -0.0000927
 augmentation part       -0.0003923 magnetization      -0.0000032

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07062533
  -exchange      EXHF   =        33.33413122
  -V(xc)+E(xc)   XCENC  =       -83.52959585
  PAW double counting   =    103096.03180488  -102995.07893787
  entropy T*S    EENTRO =        -0.00371574
  eigenvalues    EBANDS =       -34.76452888
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88267672 eV

  energy without entropy =      -13.87896099  energy(sigma->0) =      -13.88143814
  exchange ACFDT corr.  =        -0.00483946  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4214: real time      0.4228
    SETDIJ:  cpu time      0.7677: real time      0.7691
    TRIAL :  cpu time    254.0085: real time    255.0030
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.0873: real time      0.0876
    --------------------------------------------
      LOOP:  cpu time    255.2875: real time    256.2852

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5178100E-04  (-0.4159891E-04)
 number of electron      15.0000000 magnetization      -0.0000927
 augmentation part       -0.0005514 magnetization      -0.0000022

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07135730
  -exchange      EXHF   =        33.33435533
  -V(xc)+E(xc)   XCENC  =       -83.52962619
  PAW double counting   =    102790.61519333  -102689.66234751
  entropy T*S    EENTRO =        -0.00368265
  eigenvalues    EBANDS =       -34.76405958
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88272851 eV

  energy without entropy =      -13.87904586  energy(sigma->0) =      -13.88150096
  exchange ACFDT corr.  =        -0.00481119  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4236: real time      0.4250
    SETDIJ:  cpu time      0.7659: real time      0.7673
    TRIAL :  cpu time    254.5146: real time    255.4690
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.0869: real time      0.0872
    --------------------------------------------
      LOOP:  cpu time    255.7936: real time    256.7511

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3969468E-04  (-0.3096094E-04)
 number of electron      15.0000000 magnetization      -0.0000922
 augmentation part       -0.0006893 magnetization      -0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07205664
  -exchange      EXHF   =        33.33455317
  -V(xc)+E(xc)   XCENC  =       -83.52964892
  PAW double counting   =    102476.97056811  -102376.01767724
  entropy T*S    EENTRO =        -0.00365415
  eigenvalues    EBANDS =       -34.76365319
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88276820 eV

  energy without entropy =      -13.87911405  energy(sigma->0) =      -13.88155015
  exchange ACFDT corr.  =        -0.00478719  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7679: real time      0.7693
    TRIAL :  cpu time    254.8962: real time    255.8845
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.0877: real time      0.0880
    --------------------------------------------
      LOOP:  cpu time    256.1754: real time    257.1668

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2986024E-04  (-0.2306012E-04)
 number of electron      15.0000000 magnetization      -0.0000912
 augmentation part       -0.0007976 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07268679
  -exchange      EXHF   =        33.33472955
  -V(xc)+E(xc)   XCENC  =       -83.52966070
  PAW double counting   =    102204.96009165  -102104.00707237
  entropy T*S    EENTRO =        -0.00362966
  eigenvalues    EBANDS =       -34.76337440
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88279806 eV

  energy without entropy =      -13.87916841  energy(sigma->0) =      -13.88158818
  exchange ACFDT corr.  =        -0.00476873  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7690: real time      0.7704
    TRIAL :  cpu time    253.8620: real time    254.8319
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.0876: real time      0.0880
    --------------------------------------------
      LOOP:  cpu time    255.1429: real time    256.1159

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2251748E-04  (-0.1756236E-04)
 number of electron      15.0000000 magnetization      -0.0000897
 augmentation part       -0.0008772 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07332852
  -exchange      EXHF   =        33.33488800
  -V(xc)+E(xc)   XCENC  =       -83.52966548
  PAW double counting   =    101994.02377896  -101893.07072539
  entropy T*S    EENTRO =        -0.00360865
  eigenvalues    EBANDS =       -34.76296764
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88282058 eV

  energy without entropy =      -13.87921193  energy(sigma->0) =      -13.88161770
  exchange ACFDT corr.  =        -0.00475569  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  25)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    254.4865: real time    255.4679
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.0878: real time      0.0881
    --------------------------------------------
      LOOP:  cpu time    255.7658: real time    256.7504

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1730467E-04  (-0.1377619E-04)
 number of electron      15.0000000 magnetization      -0.0000879
 augmentation part       -0.0009332 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07392403
  -exchange      EXHF   =        33.33502938
  -V(xc)+E(xc)   XCENC  =       -83.52966911
  PAW double counting   =    101843.32986501  -101742.37679547
  entropy T*S    EENTRO =        -0.00359067
  eigenvalues    EBANDS =       -34.76256417
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88283788 eV

  energy without entropy =      -13.87924721  energy(sigma->0) =      -13.88164099
  exchange ACFDT corr.  =        -0.00474222  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  26)  ---------------------------------------


    POTLOK:  cpu time      0.4220: real time      0.4235
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    254.2152: real time    255.2082
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.0868: real time      0.0871
    --------------------------------------------
      LOOP:  cpu time    255.4955: real time    256.4917

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1363429E-04  (-0.1105668E-04)
 number of electron      15.0000000 magnetization      -0.0000859
 augmentation part       -0.0009708 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07447650
  -exchange      EXHF   =        33.33515418
  -V(xc)+E(xc)   XCENC  =       -83.52967483
  PAW double counting   =    101742.32571943  -101641.37265951
  entropy T*S    EENTRO =        -0.00357532
  eigenvalues    EBANDS =       -34.76215277
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88285152 eV

  energy without entropy =      -13.87927620  energy(sigma->0) =      -13.88165974
  exchange ACFDT corr.  =        -0.00472791  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  27)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4228
    SETDIJ:  cpu time      0.7656: real time      0.7669
    TRIAL :  cpu time    254.3445: real time    255.3057
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.0867: real time      0.0870
    --------------------------------------------
      LOOP:  cpu time    255.6207: real time    256.5850

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1094323E-04  (-0.9004354E-05)
 number of electron      15.0000000 magnetization      -0.0000836
 augmentation part       -0.0009947 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07498335
  -exchange      EXHF   =        33.33526380
  -V(xc)+E(xc)   XCENC  =       -83.52968242
  PAW double counting   =    101678.93052273  -101577.97746248
  entropy T*S    EENTRO =        -0.00356224
  eigenvalues    EBANDS =       -34.76177457
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88286246 eV

  energy without entropy =      -13.87930022  energy(sigma->0) =      -13.88167505
  exchange ACFDT corr.  =        -0.00471578  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  28)  ---------------------------------------


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7722: real time      0.7736
    TRIAL :  cpu time    254.3404: real time    255.3062
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    253.2744: real time    254.2671
    CHARGE:  cpu time      0.0866: real time      0.0870
    --------------------------------------------
      LOOP:  cpu time    508.8979: real time    510.8595

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8894375E-05  (-0.7388677E-05)
 number of electron      15.0000000 magnetization      -0.0000811
 augmentation part       -0.0010094 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -705.07544826
  -exchange      EXHF   =        33.33544524
  -V(xc)+E(xc)   XCENC  =       -83.52969085
  PAW double counting   =    101642.05597461  -101541.10291826
  entropy T*S    EENTRO =        -0.00355112
  eigenvalues    EBANDS =       -34.76141565
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88287135 eV

  energy without entropy =      -13.87932024  energy(sigma->0) =      -13.88168765
  exchange ACFDT corr.  =        -0.00470553  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.3697


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8070       2 -69.7133       3 -69.7844       4 -69.7136       5 -69.8069
 
 
 
 E-fermi :   3.2737     XC(G=0):  -5.1105     alpha+bet : -8.9779

 Fermi energy:         3.2736975328

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8562      1.00000
      2      -9.9817      1.00000
      3      -8.5949      1.00000
      4      -6.6689      1.00000
      5      -4.2585      1.00000
      6      -1.5045      1.00000
      7       1.7284      1.00000
      8       4.6937     -0.00000
      9       5.3656     -0.00000
     10       7.9178     -0.00000
     11       8.0096     -0.00000
     12      12.0136      0.00000
     13      12.0875      0.00000
     14      16.4088      0.00000
     15      16.4953      0.00000
     16      16.5172      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3453      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2534      1.00000
      7       1.9830      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1175     -0.00000
     11       8.2057     -0.00000
     12      12.1771      0.00000
     13      12.4691      0.00000
     14      12.5683      0.00000
     15      13.5883      0.00000
     16      14.2037      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3453      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2534      1.00000
      7       1.9830      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1176     -0.00000
     11       8.2056     -0.00000
     12      12.1941      0.00000
     13      12.4777      0.00000
     14      12.5320      0.00000
     15      13.6925      0.00000
     16      14.5360      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3453      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2534      1.00000
      7       1.9830      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1176     -0.00000
     11       8.2057     -0.00000
     12      12.1918      0.00000
     13      12.4972      0.00000
     14      12.5025      0.00000
     15      13.6010      0.00000
     16      14.5107      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5964      1.00000
      4      -5.6631      1.00000
      5      -3.2340      1.00000
      6      -0.5036      1.00000
      7       2.7203      1.00031
      8       5.5349     -0.00000
      9       6.1878     -0.00000
     10       8.4190     -0.00000
     11       8.8904      0.00000
     12       9.2739      0.00000
     13      10.1241      0.00000
     14      10.3403      0.00000
     15      12.4798      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5965      1.00000
      4      -5.6631      1.00000
      5      -3.2340      1.00000
      6      -0.5036      1.00000
      7       2.7203      1.00031
      8       5.5347     -0.00000
      9       6.1879     -0.00000
     10       8.4167     -0.00000
     11       8.8730      0.00000
     12       9.2869      0.00000
     13       9.7743      0.00000
     14      10.6035      0.00000
     15      12.6357      0.00000
     16      12.9553      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5965      1.00000
      4      -5.6631      1.00000
      5      -3.2340      1.00000
      6      -0.5036      1.00000
      7       2.7203      1.00031
      8       5.5347     -0.00000
      9       6.1880     -0.00000
     10       8.4168     -0.00000
     11       8.8867      0.00000
     12       9.2689      0.00000
     13       9.7701      0.00000
     14      10.6170      0.00000
     15      12.5650      0.00000
     16      12.6123      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3472      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7201      1.00000
      7       3.7398     -0.00244
      8       5.0388     -0.00000
      9       5.9244     -0.00000
     10       6.7394     -0.00000
     11       7.2125     -0.00000
     12       7.4873     -0.00000
     13       8.6893      0.00000
     14       9.7397      0.00000
     15       9.9437      0.00000
     16      11.4504      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3472      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7201      1.00000
      7       3.7398     -0.00244
      8       5.0387     -0.00000
      9       5.9243     -0.00000
     10       6.7395     -0.00000
     11       7.2130     -0.00000
     12       7.5113     -0.00000
     13       8.6569      0.00000
     14       9.7564      0.00000
     15       9.9371      0.00000
     16      10.8423      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3472      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7201      1.00000
      7       3.7398     -0.00244
      8       5.0387     -0.00000
      9       5.9243     -0.00000
     10       6.7402     -0.00000
     11       7.2132     -0.00000
     12       7.5324     -0.00000
     13       8.6215      0.00000
     14       9.7578      0.00000
     15       9.9487      0.00000
     16      10.8534      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5967      1.00000
      4      -2.6615      1.00000
      5      -0.2844      1.00000
      6       1.2265      1.00000
      7       2.0819      1.00000
      8       2.8505      1.00535
      9       3.7535     -0.00181
     10       5.4991     -0.00000
     11       5.7040     -0.00000
     12       7.7227     -0.00000
     13       8.3867      0.00000
     14       8.8000      0.00000
     15       9.9029      0.00000
     16      11.1344      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5967      1.00000
      4      -2.6615      1.00000
      5      -0.2844      1.00000
      6       1.2265      1.00000
      7       2.0818      1.00000
      8       2.8504      1.00534
      9       3.7535     -0.00181
     10       5.4990     -0.00000
     11       5.7037     -0.00000
     12       7.7227     -0.00000
     13       8.2744      0.00000
     14       8.6658      0.00000
     15      10.8874      0.00000
     16      10.9426      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5967      1.00000
      4      -2.6615      1.00000
      5      -0.2844      1.00000
      6       1.2266      1.00000
      7       2.0818      1.00000
      8       2.8504      1.00533
      9       3.7534     -0.00181
     10       5.4990     -0.00000
     11       5.7041     -0.00000
     12       7.7228     -0.00000
     13       8.4122      0.00000
     14       8.5531      0.00000
     15      10.2260      0.00000
     16      10.6760      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3659      1.00000
      4      -1.9071      1.00000
      5      -1.1038      1.00000
      6      -0.5107      1.00000
      7       0.5732      1.00000
      8       2.1928      1.00000
      9       2.6157      1.00002
     10       4.6518     -0.00000
     11       4.8859     -0.00000
     12       7.1676     -0.00000
     13       7.6649      0.00000
     14      10.0299      0.00000
     15      10.0723      0.00000
     16      10.2189      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3659      1.00000
      4      -1.9071      1.00000
      5      -1.1037      1.00000
      6      -0.5107      1.00000
      7       0.5731      1.00000
      8       2.1925      1.00000
      9       2.6158      1.00002
     10       4.6517     -0.00000
     11       4.8859     -0.00000
     12       7.1676     -0.00000
     13       7.6915      0.00000
     14       9.8630      0.00000
     15      10.0395      0.00000
     16      10.3827      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3660      1.00000
      4      -1.9071      1.00000
      5      -1.1038      1.00000
      6      -0.5106      1.00000
      7       0.5731      1.00000
      8       2.1926      1.00000
      9       2.6157      1.00002
     10       4.6518     -0.00000
     11       4.8859     -0.00000
     12       7.1677     -0.00000
     13       7.8078      0.00000
     14       9.8697      0.00000
     15      10.0651      0.00000
     16      10.2242      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2368      1.00000
      3      -7.8461      1.00000
      4      -5.9145      1.00000
      5      -3.4894      1.00000
      6      -0.7527      1.00000
      7       2.4798      1.00000
      8       5.3354     -0.00000
      9       5.9853     -0.00000
     10       8.4974     -0.00000
     11       8.5605     -0.00000
     12      11.0470      0.00000
     13      11.3144      0.00000
     14      11.5290      0.00000
     15      12.1563      0.00000
     16      12.2678      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2368      1.00000
      3      -7.8461      1.00000
      4      -5.9145      1.00000
      5      -3.4894      1.00000
      6      -0.7527      1.00000
      7       2.4798      1.00000
      8       5.3354     -0.00000
      9       5.9853     -0.00000
     10       8.4979     -0.00000
     11       8.5606     -0.00000
     12      11.0418      0.00000
     13      11.4014      0.00000
     14      11.5781      0.00000
     15      11.5796      0.00000
     16      12.5057      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2368      1.00000
      3      -7.8461      1.00000
      4      -5.9145      1.00000
      5      -3.4894      1.00000
      6      -0.7527      1.00000
      7       2.4798      1.00000
      8       5.3355     -0.00000
      9       5.9853     -0.00000
     10       8.4979     -0.00000
     11       8.5611     -0.00000
     12      11.0462      0.00000
     13      11.2927      0.00000
     14      11.6167      0.00000
     15      11.7232      0.00000
     16      12.3513      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1208      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4716      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04896
      8       6.0198     -0.00000
      9       6.7410     -0.00000
     10       7.3228     -0.00000
     11       7.8753     -0.00000
     12       9.0817      0.00000
     13       9.1122      0.00000
     14       9.5687      0.00000
     15       9.9065      0.00000
     16      10.2063      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4716      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04897
      8       6.0200     -0.00000
      9       6.7409     -0.00000
     10       7.3228     -0.00000
     11       7.8752     -0.00000
     12       9.0829      0.00000
     13       9.0836      0.00000
     14       9.6311      0.00000
     15       9.8466      0.00000
     16      10.1693      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4715      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04899
      8       6.0201     -0.00000
      9       6.7410     -0.00000
     10       7.3229     -0.00000
     11       7.8752     -0.00000
     12       9.0831      0.00000
     13       9.1045      0.00000
     14       9.5816      0.00000
     15       9.8842      0.00000
     16      10.2798      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4715      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04897
      8       6.0201     -0.00000
      9       6.7407     -0.00000
     10       7.3229     -0.00000
     11       7.8752     -0.00000
     12       9.0832      0.00000
     13       9.1664      0.00000
     14       9.5734      0.00000
     15       9.7809      0.00000
     16      10.2066      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4716      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04900
      8       6.0201     -0.00000
      9       6.7409     -0.00000
     10       7.3228     -0.00000
     11       7.8752     -0.00000
     12       9.0846      0.00000
     13       9.1832      0.00000
     14       9.5094      0.00000
     15       9.8410      0.00000
     16      10.3017      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1208      1.00000
      2      -8.2430      1.00000
      3      -6.8471      1.00000
      4      -4.9096      1.00000
      5      -2.4716      1.00000
      6       0.2382      1.00000
      7       3.4101      0.04896
      8       6.0203     -0.00000
      9       6.7420     -0.00000
     10       7.3235     -0.00000
     11       7.8753     -0.00000
     12       9.0917      0.00000
     13       9.1595      0.00000
     14       9.5552      0.00000
     15       9.9113      0.00000
     16      10.1003      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2173      0.72777
      8       4.1853     -0.00000
      9       5.1024     -0.00000
     10       5.5899     -0.00000
     11       7.2069     -0.00000
     12       7.5283     -0.00000
     13       8.1381      0.00000
     14       8.6177      0.00000
     15       9.2324      0.00000
     16       9.3776      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2173      0.72787
      8       4.1852     -0.00000
      9       5.1023     -0.00000
     10       5.5899     -0.00000
     11       7.2068     -0.00000
     12       7.5282     -0.00000
     13       8.1143      0.00000
     14       8.7205      0.00000
     15       9.0377      0.00000
     16       9.5300      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2172      0.72813
      8       4.1852     -0.00000
      9       5.1023     -0.00000
     10       5.5898     -0.00000
     11       7.2064     -0.00000
     12       7.5262     -0.00000
     13       8.0790      0.00000
     14       8.5829      0.00000
     15       9.2486      0.00000
     16       9.4416      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2173      0.72777
      8       4.1853     -0.00000
      9       5.1026     -0.00000
     10       5.5899     -0.00000
     11       7.2067     -0.00000
     12       7.5274     -0.00000
     13       8.1825      0.00000
     14       8.7642      0.00000
     15       9.1684      0.00000
     16       9.4482      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2172      0.72815
      8       4.1852     -0.00000
      9       5.1024     -0.00000
     10       5.5898     -0.00000
     11       7.2061     -0.00000
     12       7.5254     -0.00000
     13       8.1169      0.00000
     14       8.5886      0.00000
     15       9.0013      0.00000
     16      10.2143      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6308      1.00000
      2      -6.7497      1.00000
      3      -5.3469      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6278      1.00000
      7       3.2173      0.72786
      8       4.1852     -0.00000
      9       5.1024     -0.00000
     10       5.5898     -0.00000
     11       7.2064     -0.00000
     12       7.5269     -0.00000
     13       8.0799      0.00000
     14       8.5976      0.00000
     15       9.5267      0.00000
     16       9.7080      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3177      1.00000
      8       2.3945      1.00000
      9       3.7940     -0.00074
     10       4.1389     -0.00000
     11       6.2538     -0.00000
     12       6.6980     -0.00000
     13       7.8483      0.00000
     14       8.6558      0.00000
     15       9.1621      0.00000
     16       9.5793      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3176      1.00000
      8       2.3944      1.00000
      9       3.7940     -0.00074
     10       4.1389     -0.00000
     11       6.2536     -0.00000
     12       6.6977     -0.00000
     13       7.8278      0.00000
     14       8.7932      0.00000
     15       9.1324      0.00000
     16       9.5961      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3176      1.00000
      8       2.3943      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2537     -0.00000
     12       6.6979     -0.00000
     13       8.0730      0.00000
     14       8.7581      0.00000
     15       8.9760      0.00000
     16       9.0004      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3177      1.00000
      8       2.3945      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6979     -0.00000
     13       7.7824      0.00000
     14       8.7141      0.00000
     15       9.0777      0.00000
     16       9.4137      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3176      1.00000
      8       2.3944      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6976     -0.00000
     13       8.1210      0.00000
     14       9.0571      0.00000
     15       9.2439      0.00000
     16       9.2556      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3495      1.00000
      4      -1.4468      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3176      1.00000
      8       2.3943      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2537     -0.00000
     12       6.6978     -0.00000
     13       8.1852      0.00000
     14       8.7477      0.00000
     15       8.9567      0.00000
     16       9.1148      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1608      1.00000
      2      -3.1283      1.00000
      3      -2.2849      1.00000
      4      -2.2539      1.00000
      5      -1.1131      1.00000
      6      -0.7067      1.00000
      7       0.8699      1.00000
      8       1.6278      1.00000
      9       3.5873     -0.02455
     10       3.7266     -0.00311
     11       5.8413     -0.00000
     12       6.2191     -0.00000
     13       7.7672      0.00000
     14       7.9618      0.00000
     15       9.0034      0.00000
     16       9.4735      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1607      1.00000
      2      -3.1284      1.00000
      3      -2.2848      1.00000
      4      -2.2539      1.00000
      5      -1.1130      1.00000
      6      -0.7068      1.00000
      7       0.8697      1.00000
      8       1.6277      1.00000
      9       3.5873     -0.02455
     10       3.7266     -0.00312
     11       5.8414     -0.00000
     12       6.2189     -0.00000
     13       7.5839      0.00000
     14       8.2718      0.00000
     15       8.9092      0.00000
     16       9.0793      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1608      1.00000
      2      -3.1284      1.00000
      3      -2.2849      1.00000
      4      -2.2539      1.00000
      5      -1.1131      1.00000
      6      -0.7067      1.00000
      7       0.8699      1.00000
      8       1.6277      1.00000
      9       3.5872     -0.02458
     10       3.7267     -0.00311
     11       5.8413     -0.00000
     12       6.2188     -0.00000
     13       7.5028      0.00000
     14       8.1285      0.00000
     15       9.0187      0.00000
     16       9.2500      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8792      1.00000
      2      -6.9989      1.00000
      3      -5.5971      1.00000
      4      -3.6568      1.00000
      5      -1.2187      1.00000
      6       1.4382      1.00000
      7       4.3209     -0.00000
      8       5.4945     -0.00000
      9       5.8715     -0.00000
     10       6.4619     -0.00000
     11       6.7460     -0.00000
     12       7.3189     -0.00000
     13       7.8394      0.00000
     14       7.9024      0.00000
     15       8.0097      0.00000
     16       9.5785      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8793      1.00000
      2      -6.9989      1.00000
      3      -5.5971      1.00000
      4      -3.6569      1.00000
      5      -1.2187      1.00000
      6       1.4382      1.00000
      7       4.3207     -0.00000
      8       5.4945     -0.00000
      9       5.8710     -0.00000
     10       6.4620     -0.00000
     11       6.7457     -0.00000
     12       7.3188     -0.00000
     13       7.8104      0.00000
     14       7.8913      0.00000
     15       8.0045      0.00000
     16      10.0386      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8793      1.00000
      2      -6.9989      1.00000
      3      -5.5971      1.00000
      4      -3.6568      1.00000
      5      -1.2187      1.00000
      6       1.4383      1.00000
      7       4.3209     -0.00000
      8       5.4945     -0.00000
      9       5.8712     -0.00000
     10       6.4619     -0.00000
     11       6.7459     -0.00000
     12       7.3180     -0.00000
     13       7.8703      0.00000
     14       7.8959      0.00000
     15       8.5950      0.00000
     16       9.0740      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1363      1.00000
      2      -5.2534      1.00000
      3      -3.8469      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7626      1.00091
      8       3.5045     -0.03456
      9       4.4175     -0.00000
     10       4.6396     -0.00000
     11       5.4675     -0.00000
     12       6.0875     -0.00000
     13       6.6606      0.00000
     14       7.2731      0.00000
     15       8.9246      0.00000
     16       8.9848      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7625      1.00090
      8       3.5044     -0.03454
      9       4.4175     -0.00000
     10       4.6395     -0.00000
     11       5.4674     -0.00000
     12       6.0875     -0.00000
     13       6.7904      0.00000
     14       7.4483      0.00000
     15       8.6896      0.00000
     16       8.9179      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8469      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7625      1.00090
      8       3.5043     -0.03452
      9       4.4175     -0.00000
     10       4.6396     -0.00000
     11       5.4676     -0.00000
     12       6.0875     -0.00000
     13       6.7115      0.00000
     14       7.2266      0.00000
     15       8.6112      0.00000
     16       8.8083      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1363      1.00000
      2      -5.2534      1.00000
      3      -3.8469      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7626      1.00091
      8       3.5045     -0.03455
      9       4.4175     -0.00000
     10       4.6395     -0.00000
     11       5.4674     -0.00000
     12       6.0874     -0.00000
     13       6.6794      0.00000
     14       7.2309      0.00000
     15       8.7348      0.00000
     16       9.0024      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7625      1.00090
      8       3.5044     -0.03453
      9       4.4175     -0.00000
     10       4.6396     -0.00000
     11       5.4674     -0.00000
     12       6.0875     -0.00000
     13       6.8349      0.00000
     14       7.3368      0.00000
     15       8.5565      0.00000
     16       8.8301      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1363      1.00000
      2      -5.2534      1.00000
      3      -3.8469      1.00000
      4      -1.9201      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7626      1.00091
      8       3.5043     -0.03452
      9       4.4175     -0.00000
     10       4.6395     -0.00000
     11       5.4675     -0.00000
     12       6.0875     -0.00000
     13       6.6869      0.00000
     14       7.3297      0.00000
     15       8.9235      0.00000
     16       8.9291      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6242      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2992      1.00000
      8       2.8142      1.00274
      9       3.2035      0.77944
     10       4.1251     -0.00000
     11       4.7947     -0.00000
     12       5.6276     -0.00000
     13       5.9414      0.00000
     14       6.7579      0.00000
     15       8.0407      0.00000
     16       8.2883      0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6242      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2990      1.00000
      8       2.8139      1.00272
      9       3.2036      0.77911
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6291     -0.00000
     13       5.8660      0.00000
     14       6.8552      0.00000
     15       8.0781      0.00000
     16       8.2561      0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6242      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2052      1.00000
      7       1.2991      1.00000
      8       2.8141      1.00273
      9       3.2035      0.77950
     10       4.1251     -0.00000
     11       4.7948     -0.00000
     12       5.6302     -0.00000
     13       5.9013      0.00000
     14       6.8649      0.00000
     15       8.0996      0.00000
     16       8.1253      0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6242      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2992      1.00000
      8       2.8142      1.00274
      9       3.2035      0.77945
     10       4.1251     -0.00000
     11       4.7947     -0.00000
     12       5.6279     -0.00000
     13       5.9666      0.00000
     14       6.8457      0.00000
     15       8.1048      0.00000
     16       8.1213      0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2991      1.00000
      8       2.8141      1.00273
      9       3.2035      0.77966
     10       4.1251     -0.00000
     11       4.7947     -0.00000
     12       5.6290     -0.00000
     13       5.9927      0.00000
     14       6.6973      0.00000
     15       8.2037      0.00000
     16       8.2938      0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6242      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2990      1.00000
      8       2.8139      1.00272
      9       3.2036      0.77930
     10       4.1251     -0.00000
     11       4.7947     -0.00000
     12       5.6261     -0.00000
     13       5.9464      0.00000
     14       6.8176      0.00000
     15       7.9787      0.00000
     16       8.3054      0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1371      1.00000
      2      -3.2574      1.00000
      3      -1.8606      1.00000
      4      -0.0179      1.00000
      5       1.2634      1.00000
      6       1.2662      1.00000
      7       1.7125      1.00000
      8       2.1455      1.00000
      9       2.8940      1.01101
     10       3.4091      0.04849
     11       4.1903     -0.00000
     12       5.3283     -0.00000
     13       5.4105      0.00000
     14       6.0774      0.00000
     15       7.9165      0.00000
     16       8.1577      0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1372      1.00000
      2      -3.2575      1.00000
      3      -1.8606      1.00000
      4      -0.0179      1.00000
      5       1.2634      1.00000
      6       1.2662      1.00000
      7       1.7126      1.00000
      8       2.1455      1.00000
      9       2.8939      1.01100
     10       3.4090      0.04864
     11       4.1903     -0.00000
     12       5.3280     -0.00000
     13       5.4975      0.00000
     14       5.9981      0.00000
     15       7.8560      0.00000
     16       8.0994      0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1372      1.00000
      2      -3.2574      1.00000
      3      -1.8606      1.00000
      4      -0.0179      1.00000
      5       1.2634      1.00000
      6       1.2662      1.00000
      7       1.7126      1.00000
      8       2.1454      1.00000
      9       2.8941      1.01106
     10       3.4092      0.04814
     11       4.1902     -0.00000
     12       5.3282     -0.00000
     13       5.5337      0.00000
     14       5.9926      0.00000
     15       7.8566      0.00000
     16       8.1172      0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6604      1.00000
      2      -1.6263      1.00000
      3      -0.7916      1.00000
      4      -0.7850      1.00000
      5       0.3344      1.00000
      6       0.7194      1.00000
      7       1.0540      1.00000
      8       1.7515      1.00000
      9       2.3446      1.00000
     10       2.6005      1.00001
     11       3.9192     -0.00002
     12       5.3664     -0.00000
     13       5.3689      0.00000
     14       5.5727      0.00000
     15       7.3175      0.00000
     16       7.5886      0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6603      1.00000
      2      -1.6263      1.00000
      3      -0.7917      1.00000
      4      -0.7849      1.00000
      5       0.3344      1.00000
      6       0.7194      1.00000
      7       1.0540      1.00000
      8       1.7515      1.00000
      9       2.3444      1.00000
     10       2.6003      1.00001
     11       3.9193     -0.00002
     12       5.2829     -0.00000
     13       5.4038      0.00000
     14       5.6668      0.00000
     15       7.3408      0.00000
     16       7.6635      0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6604      1.00000
      2      -1.6263      1.00000
      3      -0.7916      1.00000
      4      -0.7850      1.00000
      5       0.3343      1.00000
      6       0.7194      1.00000
      7       1.0540      1.00000
      8       1.7514      1.00000
      9       2.3446      1.00000
     10       2.6005      1.00001
     11       3.9194     -0.00002
     12       5.2881     -0.00000
     13       5.4852      0.00000
     14       5.6888      0.00000
     15       7.1810      0.00000
     16       7.6293      0.00000
 Fermi energy:         3.2736975328

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8562      1.00000
      2      -9.9817      1.00000
      3      -8.5949      1.00000
      4      -6.6690      1.00000
      5      -4.2586      1.00000
      6      -1.5046      1.00000
      7       1.7283      1.00000
      8       4.6937     -0.00000
      9       5.3656     -0.00000
     10       7.9180     -0.00000
     11       8.0093     -0.00000
     12      11.9526      0.00000
     13      12.1500      0.00000
     14      16.3176      0.00000
     15      16.3935      0.00000
     16      16.6627      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3454      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2535      1.00000
      7       1.9829      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1176     -0.00000
     11       8.2056     -0.00000
     12      12.1403      0.00000
     13      12.4888      0.00000
     14      12.5743      0.00000
     15      13.5759      0.00000
     16      14.4528      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3454      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2535      1.00000
      7       1.9829      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1176     -0.00000
     11       8.2056     -0.00000
     12      12.1925      0.00000
     13      12.4918      0.00000
     14      12.5267      0.00000
     15      13.5676      0.00000
     16      14.8307      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6084      1.00000
      2      -9.7334      1.00000
      3      -8.3454      1.00000
      4      -6.4174      1.00000
      5      -4.0017      1.00000
      6      -1.2535      1.00000
      7       1.9829      1.00000
      8       4.9113     -0.00000
      9       5.5732     -0.00000
     10       8.1175     -0.00000
     11       8.2055     -0.00000
     12      12.1430      0.00000
     13      12.4645      0.00000
     14      12.5955      0.00000
     15      13.6042      0.00000
     16      15.0346      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5965      1.00000
      4      -5.6632      1.00000
      5      -3.2340      1.00000
      6      -0.5037      1.00000
      7       2.7202      1.00031
      8       5.5343     -0.00000
      9       6.1875     -0.00000
     10       8.4151     -0.00000
     11       8.7543     -0.00000
     12       9.3024      0.00000
     13       9.6920      0.00000
     14      10.8127      0.00000
     15      12.3731      0.00000
     16      12.7632      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5965      1.00000
      4      -5.6632      1.00000
      5      -3.2340      1.00000
      6      -0.5037      1.00000
      7       2.7202      1.00031
      8       5.5343     -0.00000
      9       6.1875     -0.00000
     10       8.4160     -0.00000
     11       8.7539     -0.00000
     12       9.3038      0.00000
     13       9.6902      0.00000
     14      10.8079      0.00000
     15      12.4680      0.00000
     16      12.6066      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8648      1.00000
      2      -8.9885      1.00000
      3      -7.5965      1.00000
      4      -5.6632      1.00000
      5      -3.2340      1.00000
      6      -0.5037      1.00000
      7       2.7202      1.00031
      8       5.5343     -0.00000
      9       6.1875     -0.00000
     10       8.4158     -0.00000
     11       8.7541     -0.00000
     12       9.3034      0.00000
     13       9.6955      0.00000
     14      10.7868      0.00000
     15      12.5648      0.00000
     16      12.6038      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3473      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7200      1.00000
      7       3.7397     -0.00245
      8       5.0387     -0.00000
      9       5.9244     -0.00000
     10       6.7398     -0.00000
     11       7.2113     -0.00000
     12       7.4926     -0.00000
     13       8.6954      0.00000
     14       9.8121      0.00000
     15       9.8961      0.00000
     16      10.8595      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3473      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7200      1.00000
      7       3.7397     -0.00245
      8       5.0388     -0.00000
      9       5.9244     -0.00000
     10       6.7406     -0.00000
     11       7.2131     -0.00000
     12       7.5395     -0.00000
     13       8.6709      0.00000
     14       9.7588      0.00000
     15       9.8859      0.00000
     16      10.8556      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6246      1.00000
      2      -7.7456      1.00000
      3      -6.3473      1.00000
      4      -4.4077      1.00000
      5      -1.9673      1.00000
      6       0.7200      1.00000
      7       3.7397     -0.00245
      8       5.0387     -0.00000
      9       5.9244     -0.00000
     10       6.7399     -0.00000
     11       7.2127     -0.00000
     12       7.5531     -0.00000
     13       8.6396      0.00000
     14       9.7405      0.00000
     15       9.9118      0.00000
     16      10.8697      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5968      1.00000
      4      -2.6615      1.00000
      5      -0.2844      1.00000
      6       1.2265      1.00000
      7       2.0817      1.00000
      8       2.8504      1.00533
      9       3.7534     -0.00181
     10       5.4990     -0.00000
     11       5.7037     -0.00000
     12       7.7227     -0.00000
     13       8.3893      0.00000
     14       8.6352      0.00000
     15      10.1303      0.00000
     16      10.7260      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5968      1.00000
      4      -2.6615      1.00000
      5      -0.2845      1.00000
      6       1.2265      1.00000
      7       2.0817      1.00000
      8       2.8505      1.00535
      9       3.7534     -0.00181
     10       5.4989     -0.00000
     11       5.7035     -0.00000
     12       7.7227     -0.00000
     13       8.2692      0.00000
     14       8.7053      0.00000
     15       9.9882      0.00000
     16      10.9725      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8848      1.00000
      2      -6.0017      1.00000
      3      -4.5968      1.00000
      4      -2.6615      1.00000
      5      -0.2845      1.00000
      6       1.2265      1.00000
      7       2.0817      1.00000
      8       2.8505      1.00535
      9       3.7534     -0.00181
     10       5.4989     -0.00000
     11       5.7035     -0.00000
     12       7.7227     -0.00000
     13       8.4410      0.00000
     14       8.5156      0.00000
     15      10.3079      0.00000
     16      10.6341      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3660      1.00000
      4      -1.9072      1.00000
      5      -1.1038      1.00000
      6      -0.5107      1.00000
      7       0.5730      1.00000
      8       2.1924      1.00000
      9       2.6158      1.00002
     10       4.6517     -0.00000
     11       4.8859     -0.00000
     12       7.1675     -0.00000
     13       8.0454      0.00000
     14       9.6025      0.00000
     15      10.1797      0.00000
     16      10.2162      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3660      1.00000
      4      -1.9072      1.00000
      5      -1.1038      1.00000
      6      -0.5108      1.00000
      7       0.5731      1.00000
      8       2.1928      1.00000
      9       2.6156      1.00002
     10       4.6518     -0.00000
     11       4.8858     -0.00000
     12       7.1676     -0.00000
     13       7.7588      0.00000
     14       9.9475      0.00000
     15      10.3058      0.00000
     16      10.8468      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6413      1.00000
      2      -3.7569      1.00000
      3      -2.3660      1.00000
      4      -1.9072      1.00000
      5      -1.1038      1.00000
      6      -0.5108      1.00000
      7       0.5730      1.00000
      8       2.1927      1.00000
      9       2.6157      1.00002
     10       4.6518     -0.00000
     11       4.8859     -0.00000
     12       7.1676     -0.00000
     13       7.6609      0.00000
     14       9.9515      0.00000
     15      10.0247      0.00000
     16      10.3201      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2369      1.00000
      3      -7.8462      1.00000
      4      -5.9146      1.00000
      5      -3.4895      1.00000
      6      -0.7528      1.00000
      7       2.4797      1.00000
      8       5.3354     -0.00000
      9       5.9853     -0.00000
     10       8.4976     -0.00000
     11       8.5611     -0.00000
     12      11.0339      0.00000
     13      11.3227      0.00000
     14      11.4543      0.00000
     15      11.7219      0.00000
     16      12.5427      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2369      1.00000
      3      -7.8462      1.00000
      4      -5.9146      1.00000
      5      -3.4895      1.00000
      6      -0.7528      1.00000
      7       2.4797      1.00000
      8       5.3354     -0.00000
      9       5.9853     -0.00000
     10       8.4979     -0.00000
     11       8.5611     -0.00000
     12      11.0328      0.00000
     13      11.3737      0.00000
     14      11.4011      0.00000
     15      11.7971      0.00000
     16      12.3161      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1127      1.00000
      2      -9.2369      1.00000
      3      -7.8462      1.00000
      4      -5.9146      1.00000
      5      -3.4895      1.00000
      6      -0.7528      1.00000
      7       2.4797      1.00000
      8       5.3354     -0.00000
      9       5.9853     -0.00000
     10       8.4974     -0.00000
     11       8.5607     -0.00000
     12      11.0362      0.00000
     13      11.2112      0.00000
     14      11.6062      0.00000
     15      11.6687      0.00000
     16      12.5467      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04925
      8       6.0204     -0.00000
      9       6.7407     -0.00000
     10       7.3227     -0.00000
     11       7.8752     -0.00000
     12       9.0216      0.00000
     13       9.2456      0.00000
     14       9.5748      0.00000
     15       9.8118      0.00000
     16      10.3918      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04922
      8       6.0201     -0.00000
      9       6.7403     -0.00000
     10       7.3227     -0.00000
     11       7.8752     -0.00000
     12       9.0204      0.00000
     13       9.2210      0.00000
     14       9.5715      0.00000
     15       9.8599      0.00000
     16      10.6131      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04926
      8       6.0206     -0.00000
      9       6.7419     -0.00000
     10       7.3231     -0.00000
     11       7.8753     -0.00000
     12       9.0252      0.00000
     13       9.3741      0.00000
     14       9.4489      0.00000
     15       9.8560      0.00000
     16      10.2036      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04925
      8       6.0209     -0.00000
      9       6.7413     -0.00000
     10       7.3233     -0.00000
     11       7.8753     -0.00000
     12       9.0227      0.00000
     13       9.2009      0.00000
     14       9.6564      0.00000
     15       9.8057      0.00000
     16      10.1628      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04925
      8       6.0207     -0.00000
      9       6.7410     -0.00000
     10       7.3231     -0.00000
     11       7.8752     -0.00000
     12       9.0234      0.00000
     13       9.2008      0.00000
     14       9.6318      0.00000
     15       9.9053      0.00000
     16      10.0435      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1209      1.00000
      2      -8.2430      1.00000
      3      -6.8472      1.00000
      4      -4.9097      1.00000
      5      -2.4716      1.00000
      6       0.2381      1.00000
      7       3.4100      0.04923
      8       6.0209     -0.00000
      9       6.7415     -0.00000
     10       7.3234     -0.00000
     11       7.8752     -0.00000
     12       9.0244      0.00000
     13       9.1948      0.00000
     14       9.5553      0.00000
     15       9.9590      0.00000
     16      10.0937      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72843
      8       4.1852     -0.00000
      9       5.1025     -0.00000
     10       5.5898     -0.00000
     11       7.2068     -0.00000
     12       7.5280     -0.00000
     13       8.1544      0.00000
     14       8.6214      0.00000
     15       9.0717      0.00000
     16       9.7295      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4070      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72839
      8       4.1853     -0.00000
      9       5.1023     -0.00000
     10       5.5898     -0.00000
     11       7.2073     -0.00000
     12       7.5299     -0.00000
     13       8.0727      0.00000
     14       8.6075      0.00000
     15       9.2396      0.00000
     16       9.5795      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4070      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72830
      8       4.1853     -0.00000
      9       5.1024     -0.00000
     10       5.5898     -0.00000
     11       7.2072     -0.00000
     12       7.5297     -0.00000
     13       8.0855      0.00000
     14       8.5794      0.00000
     15       9.1869      0.00000
     16       9.5976      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4070      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72839
      8       4.1852     -0.00000
      9       5.1025     -0.00000
     10       5.5899     -0.00000
     11       7.2069     -0.00000
     12       7.5277     -0.00000
     13       8.1029      0.00000
     14       8.4990      0.00000
     15       9.0628      0.00000
     16      10.5605      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4070      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72832
      8       4.1852     -0.00000
      9       5.1024     -0.00000
     10       5.5898     -0.00000
     11       7.2067     -0.00000
     12       7.5282     -0.00000
     13       8.0730      0.00000
     14       8.6244      0.00000
     15       9.0621      0.00000
     16      10.0923      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6309      1.00000
      2      -6.7497      1.00000
      3      -5.3470      1.00000
      4      -3.4069      1.00000
      5      -0.9755      1.00000
      6       1.6277      1.00000
      7       3.2172      0.72836
      8       4.1853     -0.00000
      9       5.1025     -0.00000
     10       5.5898     -0.00000
     11       7.2071     -0.00000
     12       7.5292     -0.00000
     13       8.0892      0.00000
     14       8.6039      0.00000
     15       9.0284      0.00000
     16       9.6221      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3175      1.00000
      8       2.3943      1.00000
      9       3.7939     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6978     -0.00000
     13       8.0814      0.00000
     14       8.8727      0.00000
     15       9.1424      0.00000
     16       9.3169      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3176      1.00000
      8       2.3945      1.00000
      9       3.7939     -0.00074
     10       4.1388     -0.00000
     11       6.2537     -0.00000
     12       6.6974     -0.00000
     13       7.7978      0.00000
     14       8.5731      0.00000
     15       9.0834      0.00000
     16       9.5249      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7541      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3176      1.00000
      8       2.3944      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6971     -0.00000
     13       7.8635      0.00000
     14       8.6888      0.00000
     15       9.2181      0.00000
     16       9.4655      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7541      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4357      1.00000
      7       1.3175      1.00000
      8       2.3943      1.00000
      9       3.7939     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6974     -0.00000
     13       7.8349      0.00000
     14       8.8272      0.00000
     15       9.0768      0.00000
     16       9.3955      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3175      1.00000
      8       2.3944      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6977     -0.00000
     13       8.0019      0.00000
     14       8.4749      0.00000
     15       9.2807      0.00000
     16       9.3660      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6385      1.00000
      2      -4.7540      1.00000
      3      -3.3496      1.00000
      4      -1.4469      1.00000
      5      -0.2111      1.00000
      6       0.4356      1.00000
      7       1.3176      1.00000
      8       2.3945      1.00000
      9       3.7940     -0.00074
     10       4.1388     -0.00000
     11       6.2536     -0.00000
     12       6.6979     -0.00000
     13       7.7875      0.00000
     14       8.6693      0.00000
     15       9.0914      0.00000
     16       9.2947      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1608      1.00000
      2      -3.1284      1.00000
      3      -2.2849      1.00000
      4      -2.2539      1.00000
      5      -1.1131      1.00000
      6      -0.7068      1.00000
      7       0.8697      1.00000
      8       1.6276      1.00000
      9       3.5871     -0.02459
     10       3.7267     -0.00311
     11       5.8413     -0.00000
     12       6.2189     -0.00000
     13       7.4979      0.00000
     14       8.1487      0.00000
     15       9.1544      0.00000
     16       9.2262      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1608      1.00000
      2      -3.1283      1.00000
      3      -2.2850      1.00000
      4      -2.2538      1.00000
      5      -1.1132      1.00000
      6      -0.7068      1.00000
      7       0.8697      1.00000
      8       1.6278      1.00000
      9       3.5872     -0.02457
     10       3.7267     -0.00311
     11       5.8413     -0.00000
     12       6.2188     -0.00000
     13       7.4422      0.00000
     14       8.2193      0.00000
     15       9.0808      0.00000
     16       9.1042      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1608      1.00000
      2      -3.1284      1.00000
      3      -2.2849      1.00000
      4      -2.2539      1.00000
      5      -1.1131      1.00000
      6      -0.7068      1.00000
      7       0.8697      1.00000
      8       1.6278      1.00000
      9       3.5873     -0.02455
     10       3.7267     -0.00311
     11       5.8414     -0.00000
     12       6.2186     -0.00000
     13       7.4651      0.00000
     14       8.1776      0.00000
     15       9.0577      0.00000
     16       9.1342      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8793      1.00000
      2      -6.9989      1.00000
      3      -5.5972      1.00000
      4      -3.6569      1.00000
      5      -1.2187      1.00000
      6       1.4382      1.00000
      7       4.3206     -0.00000
      8       5.4945     -0.00000
      9       5.8709     -0.00000
     10       6.4619     -0.00000
     11       6.7457     -0.00000
     12       7.3181     -0.00000
     13       7.8443      0.00000
     14       7.9157      0.00000
     15       8.0052      0.00000
     16      10.0279      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8793      1.00000
      2      -6.9989      1.00000
      3      -5.5972      1.00000
      4      -3.6569      1.00000
      5      -1.2187      1.00000
      6       1.4382      1.00000
      7       4.3206     -0.00000
      8       5.4945     -0.00000
      9       5.8710     -0.00000
     10       6.4619     -0.00000
     11       6.7456     -0.00000
     12       7.3182     -0.00000
     13       7.8521      0.00000
     14       7.9168      0.00000
     15       7.9651      0.00000
     16      10.1500      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8793      1.00000
      2      -6.9989      1.00000
      3      -5.5972      1.00000
      4      -3.6569      1.00000
      5      -1.2187      1.00000
      6       1.4382      1.00000
      7       4.3206     -0.00000
      8       5.4944     -0.00000
      9       5.8709     -0.00000
     10       6.4620     -0.00000
     11       6.7456     -0.00000
     12       7.3177     -0.00000
     13       7.8342      0.00000
     14       7.8919      0.00000
     15       8.0024      0.00000
     16       9.8489      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7624      1.00090
      8       3.5043     -0.03452
      9       4.4174     -0.00000
     10       4.6394     -0.00000
     11       5.4674     -0.00000
     12       6.0873     -0.00000
     13       6.7538      0.00000
     14       7.3766      0.00000
     15       8.3604      0.00000
     16       9.0220      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4298      1.00000
      6       1.9521      1.00000
      7       2.7624      1.00090
      8       3.5045     -0.03455
      9       4.4174     -0.00000
     10       4.6395     -0.00000
     11       5.4675     -0.00000
     12       6.0874     -0.00000
     13       6.7281      0.00000
     14       7.3505      0.00000
     15       8.7891      0.00000
     16       8.9244      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4298      1.00000
      6       1.9521      1.00000
      7       2.7625      1.00090
      8       3.5045     -0.03455
      9       4.4175     -0.00000
     10       4.6394     -0.00000
     11       5.4675     -0.00000
     12       6.0874     -0.00000
     13       6.6851      0.00000
     14       7.1980      0.00000
     15       8.8475      0.00000
     16       9.0775      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4299      1.00000
      6       1.9521      1.00000
      7       2.7624      1.00090
      8       3.5043     -0.03452
      9       4.4175     -0.00000
     10       4.6395     -0.00000
     11       5.4674     -0.00000
     12       6.0874     -0.00000
     13       6.7623      0.00000
     14       7.1925      0.00000
     15       8.7202      0.00000
     16       8.8684      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4298      1.00000
      6       1.9521      1.00000
      7       2.7624      1.00090
      8       3.5044     -0.03454
      9       4.4175     -0.00000
     10       4.6394     -0.00000
     11       5.4676     -0.00000
     12       6.0875     -0.00000
     13       6.7847      0.00000
     14       7.1714      0.00000
     15       8.7419      0.00000
     16       8.9588      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1364      1.00000
      2      -5.2534      1.00000
      3      -3.8470      1.00000
      4      -1.9202      1.00000
      5       0.4298      1.00000
      6       1.9521      1.00000
      7       2.7624      1.00090
      8       3.5045     -0.03456
      9       4.4175     -0.00000
     10       4.6394     -0.00000
     11       5.4674     -0.00000
     12       6.0873     -0.00000
     13       6.6782      0.00000
     14       7.2083      0.00000
     15       9.0195      0.00000
     16       9.0883      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8890      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2989      1.00000
      8       2.8138      1.00272
      9       3.2035      0.77945
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6310     -0.00000
     13       5.9997      0.00000
     14       6.8349      0.00000
     15       8.0329      0.00000
     16       8.1395      0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2050      1.00000
      7       1.2990      1.00000
      8       2.8141      1.00274
      9       3.2035      0.77954
     10       4.1251     -0.00000
     11       4.7947     -0.00000
     12       5.6323     -0.00000
     13       5.9752      0.00000
     14       6.7678      0.00000
     15       7.9763      0.00000
     16       8.2958      0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8890      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2050      1.00000
      7       1.2990      1.00000
      8       2.8141      1.00274
      9       3.2035      0.77926
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6296     -0.00000
     13       5.8861      0.00000
     14       6.7790      0.00000
     15       8.0202      0.00000
     16       8.2716      0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8890      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2051      1.00000
      7       1.2990      1.00000
      8       2.8138      1.00272
      9       3.2035      0.77936
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6300     -0.00000
     13       6.0207      0.00000
     14       6.8737      0.00000
     15       7.8405      0.00000
     16       8.2888      0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8889      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2050      1.00000
      7       1.2989      1.00000
      8       2.8140      1.00273
      9       3.2035      0.77935
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6285     -0.00000
     13       5.9405      0.00000
     14       6.8243      0.00000
     15       8.0985      0.00000
     16       8.1149      0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8890      1.00000
      2      -3.0095      1.00000
      3      -1.6243      1.00000
      4      -1.1567      1.00000
      5      -0.3707      1.00000
      6       0.2050      1.00000
      7       1.2990      1.00000
      8       2.8142      1.00274
      9       3.2034      0.77982
     10       4.1251     -0.00000
     11       4.7946     -0.00000
     12       5.6292     -0.00000
     13       5.9438      0.00000
     14       6.7737      0.00000
     15       8.0893      0.00000
     16       8.2764      0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1372      1.00000
      2      -3.2574      1.00000
      3      -1.8606      1.00000
      4      -0.0179      1.00000
      5       1.2634      1.00000
      6       1.2661      1.00000
      7       1.7125      1.00000
      8       2.1454      1.00000
      9       2.8939      1.01099
     10       3.4090      0.04874
     11       4.1903     -0.00000
     12       5.3276     -0.00000
     13       5.4063      0.00000
     14       6.0404      0.00000
     15       7.8865      0.00000
     16       8.2555      0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1372      1.00000
      2      -3.2574      1.00000
      3      -1.8606      1.00000
      4      -0.0180      1.00000
      5       1.2634      1.00000
      6       1.2662      1.00000
      7       1.7125      1.00000
      8       2.1454      1.00000
      9       2.8938      1.01099
     10       3.4091      0.04839
     11       4.1904     -0.00000
     12       5.3277     -0.00000
     13       5.5852      0.00000
     14       5.9865      0.00000
     15       7.8374      0.00000
     16       7.8847      0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1372      1.00000
      2      -3.2575      1.00000
      3      -1.8607      1.00000
      4      -0.0180      1.00000
      5       1.2635      1.00000
      6       1.2661      1.00000
      7       1.7125      1.00000
      8       2.1455      1.00000
      9       2.8938      1.01099
     10       3.4090      0.04867
     11       4.1903     -0.00000
     12       5.3265     -0.00000
     13       5.4081      0.00000
     14       6.0870      0.00000
     15       7.9566      0.00000
     16       8.0244      0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6604      1.00000
      2      -1.6263      1.00000
      3      -0.7916      1.00000
      4      -0.7850      1.00000
      5       0.3343      1.00000
      6       0.7193      1.00000
      7       1.0540      1.00000
      8       1.7514      1.00000
      9       2.3443      1.00000
     10       2.6002      1.00001
     11       3.9194     -0.00002
     12       5.4012     -0.00000
     13       5.4064      0.00000
     14       5.5522      0.00000
     15       7.3193      0.00000
     16       7.6253      0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6604      1.00000
      2      -1.6263      1.00000
      3      -0.7916      1.00000
      4      -0.7850      1.00000
      5       0.3343      1.00000
      6       0.7194      1.00000
      7       1.0540      1.00000
      8       1.7514      1.00000
      9       2.3444      1.00000
     10       2.6004      1.00001
     11       3.9191     -0.00002
     12       5.3168     -0.00000
     13       5.3996      0.00000
     14       5.6382      0.00000
     15       7.3495      0.00000
     16       7.5576      0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6604      1.00000
      2      -1.6263      1.00000
      3      -0.7917      1.00000
      4      -0.7850      1.00000
      5       0.3343      1.00000
      6       0.7193      1.00000
      7       1.0540      1.00000
      8       1.7515      1.00000
      9       2.3443      1.00000
     10       2.6004      1.00001
     11       3.9193     -0.00002
     12       5.3661     -0.00000
     13       5.5251      0.00000
     14       5.5551      0.00000
     15       7.3339      0.00000
     16       7.4498      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
  8.063  13.764  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.764  23.490  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.490   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.193 -62.058   0.000  -0.048   0.000  -0.000  -0.028  -0.000
-62.058  33.145  -0.000   0.016  -0.000   0.000   0.016   0.000
  0.000  -0.000   2.117  -0.000   0.000  -0.328   0.000  -0.000
 -0.048   0.016  -0.000   1.660   0.000   0.000  -0.255  -0.000
  0.000  -0.000   0.000   0.000   2.117  -0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000  -0.000   0.051  -0.000   0.000
 -0.028   0.016   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.008  -0.005  -0.001  -0.001   0.001   0.000   0.000  -0.000
 -0.005   0.002   0.001   0.000  -0.000  -0.000  -0.000   0.000
 -0.001   0.001  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.001  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   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      0.0010: real time      0.0010
    FORHF :  cpu time    189.9328: real time    190.6546
    FORNL :  cpu time      0.0790: real time      0.0793
    FORCOR:  cpu time      1.1873: real time      1.1901
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.929E-03 0.116E-03 0.183E+03   0.505E-13 0.258E-13 -.182E+03   -.100E-02 -.135E-03 -.125E+01
   0.454E-04 -.149E-03 0.912E+02   -.421E-14 0.426E-14 -.913E+02   0.221E-05 0.212E-03 0.342E+00
   -.254E-03 0.738E-03 0.663E-03   -.131E-12 -.813E-13 0.585E-11   0.188E-03 -.782E-03 -.701E-03
   0.573E-03 -.396E-03 -.912E+02   0.138E-12 0.792E-13 0.913E+02   -.715E-03 0.524E-03 -.341E+00
   -.239E-03 0.567E-03 -.183E+03   -.486E-13 -.245E-13 0.182E+03   0.248E-03 -.621E-03 0.125E+01
 -----------------------------------------------------------------------------------------------
   0.112E-02 0.916E-03 -.192E-02   0.439E-14 0.346E-14 0.284E-13   -.128E-02 -.803E-03 0.185E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000016     -0.000033     -0.100740
      0.00000      0.00000      2.33311         0.000090      0.000043      0.187545
      1.42873      0.82488      4.66621        -0.000030     -0.000049      0.000042
      2.85746      1.64976      6.99932        -0.000091      0.000101     -0.187432
      0.00000      0.00000      9.33242         0.000046     -0.000062      0.100585
 -----------------------------------------------------------------------------------
    total drift:                               -0.000211      0.000092     -0.000016


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88287135 eV

  energy  without entropy=      -13.87932024  energy(sigma->0) =      -13.88168765
 


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


    POTLOK:  cpu time      1.1929: real time      1.1957


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




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


    WAVPRE:  cpu time      0.8232: real time      1.0747
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0530: real time      0.0532
    POTLOK:  cpu time      1.1905: real time      1.1933
    EDDIAG:  cpu time    254.4160: real time    255.4911
    CHARGE:  cpu time      0.1177: real time      0.1181
 writing wavefunctions
     LOOP+:  cpu time   7933.6181: real time   7964.3273


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


    POTLOK:  cpu time      0.4202: real time      0.4217
    SETDIJ:  cpu time      0.7659: real time      0.7673
    TRIAL :  cpu time    253.2910: real time    254.2608
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1178: real time      0.1182
    --------------------------------------------
      LOOP:  cpu time    254.5991: real time    255.6805

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5877376E-03  (-0.1947816E-02)
 number of electron      15.0000000 magnetization      -0.0000632
 augmentation part       -0.0010577 magnetization       0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.55279880
  -exchange      EXHF   =        33.33391007
  -V(xc)+E(xc)   XCENC  =       -83.53053128
  PAW double counting   =    101612.56722490  -101511.61394562
  entropy T*S    EENTRO =        -0.00287912
  eigenvalues    EBANDS =       -34.22871633
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88227472 eV

  energy without entropy =      -13.87939560  energy(sigma->0) =      -13.88131501
  exchange ACFDT corr.  =        -0.00431547  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4191: real time      0.4205
    SETDIJ:  cpu time      0.7743: real time      0.7758
    TRIAL :  cpu time    253.6863: real time    254.6520
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1177: real time      0.1181
    --------------------------------------------
      LOOP:  cpu time    255.0000: real time    255.9690

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9293823E-03  (-0.1576945E-02)
 number of electron      15.0000000 magnetization      -0.0000624
 augmentation part       -0.0010564 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.13316597
  -exchange      EXHF   =        33.33157548
  -V(xc)+E(xc)   XCENC  =       -83.53139425
  PAW double counting   =    101605.55109816  -101504.59771095
  entropy T*S    EENTRO =        -0.00288431
  eigenvalues    EBANDS =       -34.64611727
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88320410 eV

  energy without entropy =      -13.88031980  energy(sigma->0) =      -13.88224267
  exchange ACFDT corr.  =        -0.00435258  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7656: real time      0.7670
    TRIAL :  cpu time    253.4655: real time    254.4115
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1177: real time      0.1181
    --------------------------------------------
      LOOP:  cpu time    254.7712: real time    255.7204

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9014217E-03  (-0.4435756E-03)
 number of electron      15.0000000 magnetization      -0.0000608
 augmentation part       -0.0010615 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -704.90547210
  -exchange      EXHF   =        33.32985986
  -V(xc)+E(xc)   XCENC  =       -83.53206409
  PAW double counting   =    101600.59637310  -101499.64295743
  entropy T*S    EENTRO =        -0.00283270
  eigenvalues    EBANDS =       -34.87235039
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88410553 eV

  energy without entropy =      -13.88127282  energy(sigma->0) =      -13.88316129
  exchange ACFDT corr.  =        -0.00435665  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7673: real time      0.7688
    TRIAL :  cpu time    253.2054: real time    254.1844
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1173: real time      0.1177
    --------------------------------------------
      LOOP:  cpu time    254.5132: real time    255.4956

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3018327E-03  (-0.2818191E-03)
 number of electron      15.0000000 magnetization      -0.0000587
 augmentation part       -0.0010690 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -704.94969831
  -exchange      EXHF   =        33.32965678
  -V(xc)+E(xc)   XCENC  =       -83.53221148
  PAW double counting   =    101598.24564097  -101497.29231133
  entropy T*S    EENTRO =        -0.00279053
  eigenvalues    EBANDS =       -34.82804112
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88440736 eV

  energy without entropy =      -13.88161682  energy(sigma->0) =      -13.88347718
  exchange ACFDT corr.  =        -0.00433031  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4194: real time      0.4209
    SETDIJ:  cpu time      0.7654: real time      0.7668
    TRIAL :  cpu time    254.2485: real time    255.2257
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1173: real time      0.1178
    --------------------------------------------
      LOOP:  cpu time    255.5531: real time    256.5336

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1251235E-03  (-0.2119808E-03)
 number of electron      15.0000000 magnetization      -0.0000567
 augmentation part       -0.0010745 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.03123705
  -exchange      EXHF   =        33.33019218
  -V(xc)+E(xc)   XCENC  =       -83.53208883
  PAW double counting   =    101598.08016498  -101497.12691106
  entropy T*S    EENTRO =        -0.00277685
  eigenvalues    EBANDS =       -34.74725200
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88453248 eV

  energy without entropy =      -13.88175564  energy(sigma->0) =      -13.88360687
  exchange ACFDT corr.  =        -0.00430466  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7657: real time      0.7671
    TRIAL :  cpu time    254.0832: real time    255.0686
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1171: real time      0.1175
    --------------------------------------------
      LOOP:  cpu time    255.3888: real time    256.3775

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1239119E-03  (-0.7053522E-04)
 number of electron      15.0000000 magnetization      -0.0000544
 augmentation part       -0.0010771 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.04247187
  -exchange      EXHF   =        33.33075531
  -V(xc)+E(xc)   XCENC  =       -83.53192701
  PAW double counting   =    101600.48694083  -101499.53375583
  entropy T*S    EENTRO =        -0.00277277
  eigenvalues    EBANDS =       -34.73681081
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88465639 eV

  energy without entropy =      -13.88188362  energy(sigma->0) =      -13.88373214
  exchange ACFDT corr.  =        -0.00429072  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7691: real time      0.7706
    TRIAL :  cpu time    252.8880: real time    253.8478
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1166: real time      0.1170
    --------------------------------------------
      LOOP:  cpu time    254.1969: real time    255.1600

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5106724E-04  (-0.4753846E-04)
 number of electron      15.0000000 magnetization      -0.0000521
 augmentation part       -0.0010772 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.03710961
  -exchange      EXHF   =        33.33118737
  -V(xc)+E(xc)   XCENC  =       -83.53178563
  PAW double counting   =    101604.43343647  -101503.48028056
  entropy T*S    EENTRO =        -0.00276008
  eigenvalues    EBANDS =       -34.74277257
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88470746 eV

  energy without entropy =      -13.88194738  energy(sigma->0) =      -13.88378744
  exchange ACFDT corr.  =        -0.00428248  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4193: real time      0.4207
    SETDIJ:  cpu time      0.7673: real time      0.7687
    TRIAL :  cpu time    253.9070: real time    254.8895
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1160: real time      0.1164
    --------------------------------------------
      LOOP:  cpu time    255.2121: real time    256.1980

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2451275E-04  (-0.3359767E-04)
 number of electron      15.0000000 magnetization      -0.0000498
 augmentation part       -0.0010752 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.06298572
  -exchange      EXHF   =        33.33151045
  -V(xc)+E(xc)   XCENC  =       -83.53167244
  PAW double counting   =    101609.48484110  -101508.53167221
  entropy T*S    EENTRO =        -0.00274373
  eigenvalues    EBANDS =       -34.71738290
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88473197 eV

  energy without entropy =      -13.88198824  energy(sigma->0) =      -13.88381740
  exchange ACFDT corr.  =        -0.00427242  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4223
    SETDIJ:  cpu time      0.7654: real time      0.7668
    TRIAL :  cpu time    254.7070: real time    255.6739
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1161: real time      0.1165
    --------------------------------------------
      LOOP:  cpu time    256.0118: real time    256.9819

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2079036E-04  (-0.1321858E-04)
 number of electron      15.0000000 magnetization      -0.0000474
 augmentation part       -0.0010722 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.09264338
  -exchange      EXHF   =        33.33164887
  -V(xc)+E(xc)   XCENC  =       -83.53162153
  PAW double counting   =    101615.17732529  -101514.22416116
  entropy T*S    EENTRO =        -0.00273538
  eigenvalues    EBANDS =       -34.68794696
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88475276 eV

  energy without entropy =      -13.88201738  energy(sigma->0) =      -13.88384097
  exchange ACFDT corr.  =        -0.00426245  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4209
    SETDIJ:  cpu time      0.7680: real time      0.7694
    TRIAL :  cpu time    254.5713: real time    255.5461
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1156: real time      0.1160
    --------------------------------------------
      LOOP:  cpu time    255.8769: real time    256.8549

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1056731E-04  (-0.9733022E-05)
 number of electron      15.0000000 magnetization      -0.0000451
 augmentation part       -0.0010688 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.09073814
  -exchange      EXHF   =        33.33158171
  -V(xc)+E(xc)   XCENC  =       -83.53164293
  PAW double counting   =    101620.64274785  -101519.68955715
  entropy T*S    EENTRO =        -0.00273276
  eigenvalues    EBANDS =       -34.68980912
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88476333 eV

  energy without entropy =      -13.88203057  energy(sigma->0) =      -13.88385241
  exchange ACFDT corr.  =        -0.00425718  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      2(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    254.0572: real time    255.0160
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    254.7937: real time    255.7814
    CHARGE:  cpu time      0.1155: real time      0.1159
    --------------------------------------------
      LOOP:  cpu time    510.1572: real time    512.1069

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5942061E-05  (-0.5908541E-05)
 number of electron      15.0000000 magnetization      -0.0000428
 augmentation part       -0.0010660 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.56400558
  -Hartree energ DENC   =      -705.06957427
  -exchange      EXHF   =        33.33138309
  -V(xc)+E(xc)   XCENC  =       -83.53169044
  PAW double counting   =    101625.96370814  -101525.01049147
  entropy T*S    EENTRO =        -0.00272826
  eigenvalues    EBANDS =       -34.71082423
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88476927 eV

  energy without entropy =      -13.88204102  energy(sigma->0) =      -13.88385985
  exchange ACFDT corr.  =        -0.00425488  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0397


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8080       2 -69.7145       3 -69.7779       4 -69.7073       5 -69.8060
 
 
 
 E-fermi :   3.2731     XC(G=0):  -5.1112     alpha+bet : -8.9779

 Fermi energy:         3.2731410034

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8574      1.00000
      2      -9.9668      1.00000
      3      -8.5862      1.00000
      4      -6.6763      1.00000
      5      -4.2578      1.00000
      6      -1.5047      1.00000
      7       1.7333      1.00000
      8       4.6862     -0.00000
      9       5.3625     -0.00000
     10       7.9150     -0.00000
     11       8.0064     -0.00000
     12      11.8920      0.00000
     13      12.2048      0.00000
     14      16.1121      0.00000
     15      16.3803      0.00000
     16      16.8063      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4247      1.00000
      5      -4.0009      1.00000
      6      -1.2536      1.00000
      7       1.9878      1.00000
      8       4.9039     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2022     -0.00000
     12      12.0297      0.00000
     13      12.3102      0.00000
     14      12.8455      0.00000
     15      13.5859      0.00000
     16      14.2262      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4247      1.00000
      5      -4.0009      1.00000
      6      -1.2536      1.00000
      7       1.9878      1.00000
      8       4.9039     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2022     -0.00000
     12      12.0292      0.00000
     13      12.3099      0.00000
     14      12.8450      0.00000
     15      13.6075      0.00000
     16      14.4012      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4247      1.00000
      5      -4.0009      1.00000
      6      -1.2536      1.00000
      7       1.9878      1.00000
      8       4.9039     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2022     -0.00000
     12      12.0294      0.00000
     13      12.3095      0.00000
     14      12.8450      0.00000
     15      13.5897      0.00000
     16      14.5210      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9735      1.00000
      3      -7.5878      1.00000
      4      -5.6706      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7249      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4029     -0.00000
     11       8.7500      0.00000
     12       9.2849      0.00000
     13       9.7214      0.00000
     14      10.7929      0.00000
     15      12.4420      0.00000
     16      12.6819      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9735      1.00000
      3      -7.5878      1.00000
      4      -5.6706      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7248      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4028     -0.00000
     11       8.7499      0.00000
     12       9.2847      0.00000
     13       9.7203      0.00000
     14      10.7928      0.00000
     15      12.6204      0.00000
     16      12.9517      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9735      1.00000
      3      -7.5878      1.00000
      4      -5.6706      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7248      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4028     -0.00000
     11       8.7499      0.00000
     12       9.2847      0.00000
     13       9.7201      0.00000
     14      10.7928      0.00000
     15      12.4156      0.00000
     16      12.6393      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3384      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7425     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7308     -0.00000
     11       7.1807     -0.00000
     12       7.3267     -0.00000
     13       8.8380      0.00000
     14       9.7274      0.00000
     15       9.9710      0.00000
     16      11.4441      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3384      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7425     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7308     -0.00000
     11       7.1807     -0.00000
     12       7.3267     -0.00000
     13       8.8380      0.00000
     14       9.7232      0.00000
     15       9.9684      0.00000
     16      10.8690      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3384      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7425     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7308     -0.00000
     11       7.1807     -0.00000
     12       7.3267     -0.00000
     13       8.8379      0.00000
     14       9.7239      0.00000
     15       9.9687      0.00000
     16      10.8722      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6692      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00601
      9       3.7620     -0.00150
     10       5.4941     -0.00000
     11       5.7034     -0.00000
     12       7.7220     -0.00000
     13       8.2120     -0.00000
     14       8.6880     -0.00000
     15      10.0013      0.00000
     16      11.2304      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6692      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00601
      9       3.7620     -0.00150
     10       5.4941     -0.00000
     11       5.7034     -0.00000
     12       7.7220     -0.00000
     13       8.2139     -0.00000
     14       8.6881     -0.00000
     15      10.3187      0.00000
     16      11.0544      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6692      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00600
      9       3.7620     -0.00150
     10       5.4941     -0.00000
     11       5.7034     -0.00000
     12       7.7220     -0.00000
     13       8.2114     -0.00000
     14       8.6881     -0.00000
     15       9.9707      0.00000
     16      10.9501      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6430      1.00000
      2      -3.7413      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5126      1.00000
      7       0.5779      1.00000
      8       2.1908      1.00000
      9       2.6105      1.00001
     10       4.6541     -0.00000
     11       4.8827     -0.00000
     12       7.1664     -0.00000
     13       7.6206     -0.00000
     14       9.7973      0.00000
     15      10.0194      0.00000
     16      10.5121      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6430      1.00000
      2      -3.7413      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5125      1.00000
      7       0.5779      1.00000
      8       2.1907      1.00000
      9       2.6105      1.00001
     10       4.6541     -0.00000
     11       4.8828     -0.00000
     12       7.1664     -0.00000
     13       7.6206     -0.00000
     14       9.7842      0.00000
     15      10.0213      0.00000
     16      10.5159      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6430      1.00000
      2      -3.7413      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5125      1.00000
      7       0.5779      1.00000
      8       2.1907      1.00000
      9       2.6105      1.00001
     10       4.6541     -0.00000
     11       4.8827     -0.00000
     12       7.1664     -0.00000
     13       7.6206     -0.00000
     14       9.7867      0.00000
     15      10.0070      0.00000
     16      10.5148      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2219      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7530      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0385      0.00000
     13      11.0521      0.00000
     14      11.5965      0.00000
     15      11.7544      0.00000
     16      12.6553      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2219      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7530      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0258      0.00000
     13      11.0547      0.00000
     14      11.5406      0.00000
     15      11.7845      0.00000
     16      12.6066      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2219      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7530      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0253      0.00000
     13      11.0533      0.00000
     14      11.5442      0.00000
     15      11.7287      0.00000
     16      12.6261      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9795      0.00000
     13       9.1556      0.00000
     14       9.5951      0.00000
     15       9.8390      0.00000
     16      10.2612      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9783      0.00000
     13       9.1546      0.00000
     14       9.6000      0.00000
     15       9.8195      0.00000
     16      10.2606      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9786      0.00000
     13       9.1550      0.00000
     14       9.5962      0.00000
     15       9.8347      0.00000
     16      10.3058      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9780      0.00000
     13       9.1544      0.00000
     14       9.5965      0.00000
     15       9.8237      0.00000
     16      10.2552      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9806      0.00000
     13       9.1559      0.00000
     14       9.5981      0.00000
     15       9.8202      0.00000
     16      10.3226      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03956
      8       6.0147     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9784      0.00000
     13       9.1546      0.00000
     14       9.5956      0.00000
     15       9.8234      0.00000
     16      10.2598      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2152      0.73484
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0555     -0.00000
     14       8.5399     -0.00000
     15       9.0189      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73488
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0521     -0.00000
     14       8.5286     -0.00000
     15       9.0207      0.00000
     16       9.6424      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73492
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0496     -0.00000
     14       8.5363     -0.00000
     15       9.0356      0.00000
     16       9.6362      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2152      0.73484
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0525     -0.00000
     14       8.5326     -0.00000
     15       9.0419      0.00000
     16       9.6462      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73492
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0500     -0.00000
     14       8.5319     -0.00000
     15       9.0159      0.00000
     16       9.9332      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7345      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73488
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5972     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0487     -0.00000
     14       8.5296     -0.00000
     15       9.0344      0.00000
     16      10.0740      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7278     -0.00000
     14       8.5445     -0.00000
     15       9.1463      0.00000
     16       9.7143      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7291     -0.00000
     14       8.4944     -0.00000
     15       9.2903      0.00000
     16       9.7356      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7634     -0.00000
     14       8.4558     -0.00000
     15       8.9222      0.00000
     16       9.5465      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7375     -0.00000
     14       8.5569     -0.00000
     15       8.9165      0.00000
     16       9.6658      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7279     -0.00000
     14       8.6768      0.00000
     15       9.4070      0.00000
     16       9.6851      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00072
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7425     -0.00000
     14       8.4570     -0.00000
     15       8.9950      0.00000
     16       9.5251      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6202      1.00000
      9       3.5868     -0.02456
     10       3.7282     -0.00299
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4051     -0.00000
     14       8.1629     -0.00000
     15       9.0251      0.00000
     16       9.4707      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6201      1.00000
      9       3.5868     -0.02455
     10       3.7282     -0.00300
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4052     -0.00000
     14       8.1611     -0.00000
     15       8.9904      0.00000
     16       9.2784      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6201      1.00000
      9       3.5868     -0.02457
     10       3.7282     -0.00299
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4050     -0.00000
     14       8.1601     -0.00000
     15       8.9950      0.00000
     16       9.3056      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5882      1.00000
      4      -3.6646      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4934     -0.00000
      9       5.8726     -0.00000
     10       6.4740     -0.00000
     11       6.7611     -0.00000
     12       7.3103     -0.00000
     13       7.7848     -0.00000
     14       7.8953     -0.00000
     15       8.0143     -0.00000
     16       9.5652      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5882      1.00000
      4      -3.6646      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4934     -0.00000
      9       5.8726     -0.00000
     10       6.4740     -0.00000
     11       6.7611     -0.00000
     12       7.3103     -0.00000
     13       7.7863     -0.00000
     14       7.8943     -0.00000
     15       8.0142     -0.00000
     16       9.9113      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5882      1.00000
      4      -3.6646      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4934     -0.00000
      9       5.8726     -0.00000
     10       6.4740     -0.00000
     11       6.7611     -0.00000
     12       7.3103     -0.00000
     13       7.7892     -0.00000
     14       7.8965     -0.00000
     15       8.0151     -0.00000
     16       9.6301      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6275     -0.00000
     14       7.1985     -0.00000
     15       8.7579      0.00000
     16       9.1157      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6301     -0.00000
     14       7.1674     -0.00000
     15       8.7323      0.00000
     16       8.9955      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5108     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6283     -0.00000
     14       7.1631     -0.00000
     15       8.5811     -0.00000
     16       8.8433      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6262     -0.00000
     14       7.1823     -0.00000
     15       8.6044     -0.00000
     16       8.9511      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5108     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6279     -0.00000
     14       7.1692     -0.00000
     15       8.5215     -0.00000
     16       9.1349      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9511      1.00000
      7       2.7698      1.00107
      8       3.5108     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6266     -0.00000
     14       7.1644     -0.00000
     15       8.7715      0.00000
     16       9.2303      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8906      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78992
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8768     -0.00000
     14       6.7714     -0.00000
     15       7.9672     -0.00000
     16       8.3653     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8906      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78975
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8765     -0.00000
     14       6.7706     -0.00000
     15       8.0008     -0.00000
     16       8.3668     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78997
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8767     -0.00000
     14       6.7709     -0.00000
     15       7.9403     -0.00000
     16       8.3985     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8906      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78991
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8771     -0.00000
     14       6.7711     -0.00000
     15       7.9833     -0.00000
     16       8.3661     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8906      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78998
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6207     -0.00000
     13       5.8765     -0.00000
     14       6.7708     -0.00000
     15       8.1820     -0.00000
     16       8.3103     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8906      1.00000
      2      -2.9938      1.00000
      3      -1.6147      1.00000
      4      -1.1584      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78978
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8768     -0.00000
     14       6.7711     -0.00000
     15       7.9605     -0.00000
     16       8.4222     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9020      1.01237
     10       3.4190      0.03121
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3900     -0.00000
     14       6.0552     -0.00000
     15       7.8648     -0.00000
     16       8.2280     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9020      1.01237
     10       3.4190      0.03130
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3900     -0.00000
     14       6.0552     -0.00000
     15       7.8984     -0.00000
     16       8.0305     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9021      1.01238
     10       3.4190      0.03119
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3901     -0.00000
     14       6.0551     -0.00000
     15       7.8965     -0.00000
     16       8.0831     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6615      1.00000
      2      -1.6286      1.00000
      3      -0.7791      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7269      1.00000
      7       1.0527      1.00000
      8       1.7622      1.00000
      9       2.3413      1.00000
     10       2.6002      1.00001
     11       3.9192     -0.00002
     12       5.2137     -0.00000
     13       5.4173     -0.00000
     14       5.6324     -0.00000
     15       7.3082     -0.00000
     16       7.6340     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6614      1.00000
      2      -1.6287      1.00000
      3      -0.7792      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7269      1.00000
      7       1.0527      1.00000
      8       1.7622      1.00000
      9       2.3413      1.00000
     10       2.6001      1.00001
     11       3.9193     -0.00002
     12       5.2138     -0.00000
     13       5.4172     -0.00000
     14       5.6323     -0.00000
     15       7.3422     -0.00000
     16       7.7135     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6615      1.00000
      2      -1.6286      1.00000
      3      -0.7791      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7269      1.00000
      7       1.0527      1.00000
      8       1.7622      1.00000
      9       2.3413      1.00000
     10       2.6001      1.00001
     11       3.9192     -0.00002
     12       5.2137     -0.00000
     13       5.4173     -0.00000
     14       5.6324     -0.00000
     15       7.3060     -0.00000
     16       7.6841     -0.00000
 Fermi energy:         3.2731410034

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8574      1.00000
      2      -9.9668      1.00000
      3      -8.5863      1.00000
      4      -6.6763      1.00000
      5      -4.2578      1.00000
      6      -1.5047      1.00000
      7       1.7333      1.00000
      8       4.6862     -0.00000
      9       5.3625     -0.00000
     10       7.9150     -0.00000
     11       8.0064     -0.00000
     12      11.8919      0.00000
     13      12.2050      0.00000
     14      16.1247      0.00000
     15      16.3167      0.00000
     16      16.7894      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4248      1.00000
      5      -4.0010      1.00000
      6      -1.2537      1.00000
      7       1.9878      1.00000
      8       4.9038     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2021     -0.00000
     12      12.0295      0.00000
     13      12.3106      0.00000
     14      12.8452      0.00000
     15      13.5898      0.00000
     16      14.4378      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4248      1.00000
      5      -4.0010      1.00000
      6      -1.2537      1.00000
      7       1.9878      1.00000
      8       4.9038     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2021     -0.00000
     12      12.0295      0.00000
     13      12.3104      0.00000
     14      12.8454      0.00000
     15      13.5862      0.00000
     16      14.5381      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6096      1.00000
      2      -9.7186      1.00000
      3      -8.3367      1.00000
      4      -6.4248      1.00000
      5      -4.0010      1.00000
      6      -1.2537      1.00000
      7       1.9878      1.00000
      8       4.9038     -0.00000
      9       5.5702     -0.00000
     10       8.1144     -0.00000
     11       8.2021     -0.00000
     12      12.0298      0.00000
     13      12.3096      0.00000
     14      12.8452      0.00000
     15      13.5937      0.00000
     16      14.5180      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9736      1.00000
      3      -7.5878      1.00000
      4      -5.6707      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7248      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4028     -0.00000
     11       8.7499      0.00000
     12       9.2847      0.00000
     13       9.7200      0.00000
     14      10.7928      0.00000
     15      12.3550      0.00000
     16      12.7634      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9736      1.00000
      3      -7.5878      1.00000
      4      -5.6707      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7248      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4028     -0.00000
     11       8.7499      0.00000
     12       9.2847      0.00000
     13       9.7201      0.00000
     14      10.7926      0.00000
     15      12.3909      0.00000
     16      12.6412      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8661      1.00000
      2      -8.9736      1.00000
      3      -7.5878      1.00000
      4      -5.6707      1.00000
      5      -3.2334      1.00000
      6      -0.5040      1.00000
      7       2.7248      1.00036
      8       5.5273     -0.00000
      9       6.1842     -0.00000
     10       8.4028     -0.00000
     11       8.7499      0.00000
     12       9.2847      0.00000
     13       9.7202      0.00000
     14      10.7926      0.00000
     15      12.4291      0.00000
     16      12.6368      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3385      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7424     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7308     -0.00000
     11       7.1806     -0.00000
     12       7.3267     -0.00000
     13       8.8379      0.00000
     14       9.7224      0.00000
     15       9.9665      0.00000
     16      10.8958      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3385      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7424     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7307     -0.00000
     11       7.1806     -0.00000
     12       7.3267     -0.00000
     13       8.8379      0.00000
     14       9.7232      0.00000
     15       9.9696      0.00000
     16      10.8689      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6260      1.00000
      2      -7.7305      1.00000
      3      -6.3385      1.00000
      4      -4.4154      1.00000
      5      -1.9668      1.00000
      6       0.7195      1.00000
      7       3.7424     -0.00226
      8       5.0389     -0.00000
      9       5.9391     -0.00000
     10       6.7308     -0.00000
     11       7.1806     -0.00000
     12       7.3267     -0.00000
     13       8.8380      0.00000
     14       9.7248      0.00000
     15       9.9684      0.00000
     16      10.8713      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6693      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00600
      9       3.7620     -0.00150
     10       5.4941     -0.00000
     11       5.7033     -0.00000
     12       7.7220     -0.00000
     13       8.2117     -0.00000
     14       8.6896     -0.00000
     15       9.9697      0.00000
     16      10.9653      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6693      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00601
      9       3.7619     -0.00150
     10       5.4941     -0.00000
     11       5.7033     -0.00000
     12       7.7220     -0.00000
     13       8.2115     -0.00000
     14       8.6880     -0.00000
     15       9.9727      0.00000
     16      10.9932      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8863      1.00000
      2      -5.9864      1.00000
      3      -4.5877      1.00000
      4      -2.6693      1.00000
      5      -0.2837      1.00000
      6       1.2252      1.00000
      7       2.0897      1.00000
      8       2.8562      1.00601
      9       3.7620     -0.00150
     10       5.4941     -0.00000
     11       5.7033     -0.00000
     12       7.7220     -0.00000
     13       8.2128     -0.00000
     14       8.6903     -0.00000
     15       9.9717      0.00000
     16      10.9712      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6431      1.00000
      2      -3.7414      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5126      1.00000
      7       0.5779      1.00000
      8       2.1907      1.00000
      9       2.6105      1.00001
     10       4.6540     -0.00000
     11       4.8828     -0.00000
     12       7.1664     -0.00000
     13       7.6207     -0.00000
     14       9.7934      0.00000
     15      10.0440      0.00000
     16      10.5165      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6431      1.00000
      2      -3.7414      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5126      1.00000
      7       0.5779      1.00000
      8       2.1907      1.00000
      9       2.6105      1.00001
     10       4.6541     -0.00000
     11       4.8827     -0.00000
     12       7.1664     -0.00000
     13       7.6213     -0.00000
     14       9.8800      0.00000
     15      10.3021      0.00000
     16      10.6983      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6431      1.00000
      2      -3.7414      1.00000
      3      -2.3566      1.00000
      4      -1.9092      1.00000
      5      -1.0911      1.00000
      6      -0.5126      1.00000
      7       0.5779      1.00000
      8       2.1907      1.00000
      9       2.6105      1.00001
     10       4.6540     -0.00000
     11       4.8827     -0.00000
     12       7.1664     -0.00000
     13       7.6206     -0.00000
     14       9.7926      0.00000
     15      10.0020      0.00000
     16      10.5122      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2220      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7531      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0228      0.00000
     13      11.0608      0.00000
     14      11.5414      0.00000
     15      11.7782      0.00000
     16      12.5954      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2220      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7531      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0196      0.00000
     13      11.0533      0.00000
     14      11.5562      0.00000
     15      11.6638      0.00000
     16      12.5986      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1140      1.00000
      2      -9.2220      1.00000
      3      -7.8375      1.00000
      4      -5.9220      1.00000
      5      -3.4888      1.00000
      6      -0.7531      1.00000
      7       2.4844      1.00000
      8       5.3283     -0.00000
      9       5.9822     -0.00000
     10       8.4940     -0.00000
     11       8.5567     -0.00000
     12      11.0207      0.00000
     13      11.0520      0.00000
     14      11.5479      0.00000
     15      11.7502      0.00000
     16      12.6098      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03968
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9785      0.00000
     13       9.1566      0.00000
     14       9.5958      0.00000
     15       9.8199      0.00000
     16      10.4565      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03967
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9808      0.00000
     13       9.1652      0.00000
     14       9.6006      0.00000
     15       9.8436      0.00000
     16      10.4788      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03968
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9787      0.00000
     13       9.1570      0.00000
     14       9.5975      0.00000
     15       9.8222      0.00000
     16      10.3115      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03968
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9786      0.00000
     13       9.1571      0.00000
     14       9.5962      0.00000
     15       9.8213      0.00000
     16      10.2754      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03968
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9776      0.00000
     13       9.1543      0.00000
     14       9.5941      0.00000
     15       9.8261      0.00000
     16      10.2485      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1222      1.00000
      2      -8.2280      1.00000
      3      -6.8384      1.00000
      4      -4.9173      1.00000
      5      -2.4710      1.00000
      6       0.2376      1.00000
      7       3.4141      0.03967
      8       6.0146     -0.00000
      9       6.7343     -0.00000
     10       7.3183     -0.00000
     11       7.8897     -0.00000
     12       8.9778      0.00000
     13       9.1547      0.00000
     14       9.5951      0.00000
     15       9.8219      0.00000
     16      10.2655      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73513
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0515     -0.00000
     14       8.5399     -0.00000
     15       9.0205      0.00000
     16       9.6684      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3381      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73512
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0486     -0.00000
     14       8.5313     -0.00000
     15       9.0210      0.00000
     16       9.7683      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3381      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73510
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0490     -0.00000
     14       8.5431     -0.00000
     15       9.0202      0.00000
     16       9.6438      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3380      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73512
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5158     -0.00000
     13       8.0486     -0.00000
     14       8.5216     -0.00000
     15       9.0367      0.00000
     16      10.4937      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3381      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73509
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0501     -0.00000
     14       8.5321     -0.00000
     15       9.0255      0.00000
     16       9.8288      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6323      1.00000
      2      -6.7346      1.00000
      3      -5.3381      1.00000
      4      -3.4147      1.00000
      5      -0.9750      1.00000
      6       1.6273      1.00000
      7       3.2151      0.73512
      8       4.1986     -0.00000
      9       5.1087     -0.00000
     10       5.5971     -0.00000
     11       7.1969     -0.00000
     12       7.5159     -0.00000
     13       8.0499     -0.00000
     14       8.5400     -0.00000
     15       9.0182      0.00000
     16       9.6678      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3227      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7295     -0.00000
     14       8.6174     -0.00000
     15       9.1439      0.00000
     16       9.6925      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6996     -0.00000
     13       7.7304     -0.00000
     14       8.4832     -0.00000
     15       8.9835      0.00000
     16       9.7240      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7290     -0.00000
     14       8.5349     -0.00000
     15       9.1185      0.00000
     16       9.5326      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4473      1.00000
      7       1.3227      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7292     -0.00000
     14       8.4523     -0.00000
     15       9.3504      0.00000
     16       9.4952      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6997     -0.00000
     13       7.7498     -0.00000
     14       8.4636     -0.00000
     15       9.0804      0.00000
     16       9.6122      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6401      1.00000
      2      -4.7386      1.00000
      3      -3.3403      1.00000
      4      -1.4541      1.00000
      5      -0.2141      1.00000
      6       0.4472      1.00000
      7       1.3228      1.00000
      8       2.4022      1.00000
      9       3.7937     -0.00073
     10       4.1312     -0.00000
     11       6.2529     -0.00000
     12       6.6996     -0.00000
     13       7.7279     -0.00000
     14       8.4573     -0.00000
     15       8.9315      0.00000
     16       9.7079      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6201      1.00000
      9       3.5868     -0.02456
     10       3.7282     -0.00299
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4051     -0.00000
     14       8.1626     -0.00000
     15       9.0537      0.00000
     16       9.3003      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6201      1.00000
      9       3.5868     -0.02456
     10       3.7282     -0.00299
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4051     -0.00000
     14       8.1598     -0.00000
     15       8.9908      0.00000
     16       9.2830      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -3.1310      1.00000
      3      -2.2667      1.00000
      4      -2.2412      1.00000
      5      -1.1026      1.00000
      6      -0.6993      1.00000
      7       0.8618      1.00000
      8       1.6201      1.00000
      9       3.5868     -0.02455
     10       3.7282     -0.00299
     11       5.8393     -0.00000
     12       6.2185     -0.00000
     13       7.4052     -0.00000
     14       8.1596     -0.00000
     15       8.9885      0.00000
     16       9.2756      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5883      1.00000
      4      -3.6647      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4933     -0.00000
      9       5.8726     -0.00000
     10       6.4739     -0.00000
     11       6.7611     -0.00000
     12       7.3102     -0.00000
     13       7.7851     -0.00000
     14       7.8955     -0.00000
     15       8.0172     -0.00000
     16       9.9966      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5883      1.00000
      4      -3.6647      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4933     -0.00000
      9       5.8726     -0.00000
     10       6.4740     -0.00000
     11       6.7611     -0.00000
     12       7.3102     -0.00000
     13       7.7818     -0.00000
     14       7.8950     -0.00000
     15       8.0150     -0.00000
     16      10.0082      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8807      1.00000
      2      -6.9838      1.00000
      3      -5.5883      1.00000
      4      -3.6647      1.00000
      5      -1.2183      1.00000
      6       1.4375      1.00000
      7       4.3223     -0.00000
      8       5.4933     -0.00000
      9       5.8726     -0.00000
     10       6.4740     -0.00000
     11       6.7611     -0.00000
     12       7.3102     -0.00000
     13       7.7820     -0.00000
     14       7.8945     -0.00000
     15       8.0146     -0.00000
     16       9.7341      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5108     -0.03523
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4783     -0.00000
     12       6.0850     -0.00000
     13       6.6310     -0.00000
     14       7.1624     -0.00000
     15       8.5499     -0.00000
     16       8.9641      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2381      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6258     -0.00000
     14       7.1650     -0.00000
     15       8.6881     -0.00000
     16       9.2513      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4783     -0.00000
     12       6.0850     -0.00000
     13       6.6286     -0.00000
     14       7.1637     -0.00000
     15       8.7105      0.00000
     16       9.2207      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2380      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5108     -0.03523
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6315     -0.00000
     14       7.1631     -0.00000
     15       8.6109     -0.00000
     16       8.8821      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2381      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4784     -0.00000
     12       6.0850     -0.00000
     13       6.6300     -0.00000
     14       7.1683     -0.00000
     15       8.5579     -0.00000
     16       9.0933      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1379      1.00000
      2      -5.2381      1.00000
      3      -3.8378      1.00000
      4      -1.9279      1.00000
      5       0.4306      1.00000
      6       1.9510      1.00000
      7       2.7698      1.00107
      8       3.5109     -0.03524
      9       4.4258     -0.00000
     10       4.6386     -0.00000
     11       5.4783     -0.00000
     12       6.0850     -0.00000
     13       6.6257     -0.00000
     14       7.1631     -0.00000
     15       8.8773      0.00000
     16       9.2918      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6147      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8130      1.00268
      9       3.1995      0.78988
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8768     -0.00000
     14       6.7705     -0.00000
     15       7.9960     -0.00000
     16       8.3046     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6148      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.79004
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6207     -0.00000
     13       5.8765     -0.00000
     14       6.7715     -0.00000
     15       7.9405     -0.00000
     16       8.4223     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6147      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78989
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6207     -0.00000
     13       5.8768     -0.00000
     14       6.7710     -0.00000
     15       7.9394     -0.00000
     16       8.3581     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6147      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8130      1.00268
      9       3.1995      0.78986
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6208     -0.00000
     13       5.8768     -0.00000
     14       6.7710     -0.00000
     15       7.9403     -0.00000
     16       8.4320     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6148      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.78987
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6207     -0.00000
     13       5.8765     -0.00000
     14       6.7706     -0.00000
     15       7.9522     -0.00000
     16       8.3645     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8907      1.00000
      2      -2.9939      1.00000
      3      -1.6147      1.00000
      4      -1.1585      1.00000
      5      -0.3581      1.00000
      6       0.2036      1.00000
      7       1.3040      1.00000
      8       2.8131      1.00269
      9       3.1995      0.79009
     10       4.1226     -0.00000
     11       4.8041     -0.00000
     12       5.6207     -0.00000
     13       5.8764     -0.00000
     14       6.7705     -0.00000
     15       7.9851     -0.00000
     16       8.4228     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9020      1.01236
     10       3.4190      0.03132
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3900     -0.00000
     14       6.0551     -0.00000
     15       7.8862     -0.00000
     16       8.2092     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9020      1.01237
     10       3.4190      0.03126
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3900     -0.00000
     14       6.0551     -0.00000
     15       7.8526     -0.00000
     16       7.9666     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1388      1.00000
      2      -3.2418      1.00000
      3      -1.8511      1.00000
      4      -0.0245      1.00000
      5       1.2595      1.00000
      6       1.2645      1.00000
      7       1.7262      1.00000
      8       2.1570      1.00000
      9       2.9020      1.01236
     10       3.4190      0.03132
     11       4.1952     -0.00000
     12       5.3070     -0.00000
     13       5.3901     -0.00000
     14       6.0551     -0.00000
     15       7.8875     -0.00000
     16       8.0759     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6615      1.00000
      2      -1.6287      1.00000
      3      -0.7792      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7269      1.00000
      7       1.0527      1.00000
      8       1.7622      1.00000
      9       2.3413      1.00000
     10       2.6001      1.00001
     11       3.9192     -0.00002
     12       5.2138     -0.00000
     13       5.4172     -0.00000
     14       5.6324     -0.00000
     15       7.3202     -0.00000
     16       7.6937     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6615      1.00000
      2      -1.6287      1.00000
      3      -0.7792      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7268      1.00000
      7       1.0527      1.00000
      8       1.7621      1.00000
      9       2.3413      1.00000
     10       2.6001      1.00001
     11       3.9192     -0.00002
     12       5.2137     -0.00000
     13       5.4172     -0.00000
     14       5.6323     -0.00000
     15       7.3297     -0.00000
     16       7.6358     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6615      1.00000
      2      -1.6287      1.00000
      3      -0.7792      1.00000
      4      -0.7663      1.00000
      5       0.3455      1.00000
      6       0.7268      1.00000
      7       1.0527      1.00000
      8       1.7622      1.00000
      9       2.3413      1.00000
     10       2.6001      1.00001
     11       3.9192     -0.00002
     12       5.2139     -0.00000
     13       5.4173     -0.00000
     14       5.6324     -0.00000
     15       7.3078     -0.00000
     16       7.6484     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.490   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881   0.000  -0.000   5.469   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469   0.000  -0.000  15.767   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.240 -62.084   0.000  -0.057  -0.000  -0.000  -0.026   0.000
-62.084  33.159  -0.000   0.021   0.000   0.000   0.015  -0.000
  0.000  -0.000   2.118  -0.000  -0.000  -0.328   0.000   0.000
 -0.057   0.021  -0.000   1.658   0.000   0.000  -0.255   0.000
 -0.000   0.000  -0.000   0.000   2.118   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.026   0.015   0.000  -0.255  -0.000  -0.000   0.039  -0.000
  0.000  -0.000   0.000   0.000  -0.328  -0.000  -0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.002  -0.001  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.001   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      0.0009: real time      0.0009
    FORHF :  cpu time    195.2441: real time    195.9807
    FORNL :  cpu time      0.0793: real time      0.0795
    FORCOR:  cpu time      1.1877: real time      1.1905
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.233E-04 0.133E-04 0.183E+03   0.507E-13 0.260E-13 -.182E+03   -.260E-04 -.154E-04 -.125E+01
   0.801E-05 -.646E-05 0.912E+02   -.383E-14 0.180E-14 -.914E+02   -.619E-05 0.137E-04 0.347E+00
   0.127E-04 0.120E-04 0.497E-01   -.136E-12 -.832E-13 -.294E-01   -.158E-04 -.143E-04 -.480E-01
   0.158E-04 -.643E-05 -.917E+02   0.142E-12 0.873E-13 0.918E+02   -.203E-04 0.212E-04 -.226E+00
   -.298E-05 0.274E-04 -.182E+03   -.481E-13 -.285E-13 0.181E+03   0.164E-05 -.319E-04 0.117E+01
 -----------------------------------------------------------------------------------------------
   0.594E-04 0.408E-04 0.122E-02   0.439E-14 0.346E-14 -.568E-13   -.666E-04 -.267E-04 -.507E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000005     -0.100614
      0.00000      0.00000      2.33311         0.000004      0.000004      0.188574
      1.42873      0.82488      4.66621        -0.000001     -0.000005     -0.025598
      2.85746      1.64976      6.99028        -0.000001      0.000012     -0.129581
      0.00000      0.00000      9.33728         0.000000     -0.000007      0.067220
 -----------------------------------------------------------------------------------
    total drift:                               -0.000010      0.000014     -0.003780


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88476927 eV

  energy  without entropy=      -13.88204102  energy(sigma->0) =      -13.88385985
 
 d Force = 0.1840365E-02[ 0.150E-02, 0.218E-02]  d Energy = 0.1897920E-02-0.576E-04
 d Force = 0.5343845E-01[ 0.507E-01, 0.562E-01]  d Ewald  = 0.5343933E-01-0.874E-06


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


    POTLOK:  cpu time      1.1883: real time      1.1911


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


 Steepest descent step on ions:
 trial-energy change:   -0.001898  1 .order   -0.001840   -0.002183   -0.001498
  (g-gl).g = 0.218E-02      g.g   = 0.218E-02  gl.gl    = 0.000E+00
 g(Force)  = 0.218E-02   g(Stress)= 0.000E+00 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   2.06998  (harmonic =   3.18644) maximal distance =0.01004452
 next E    =   -13.885641   (d E  =  -0.00277)


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


    WAVPRE:  cpu time      0.0033: real time      0.0860
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0565: real time      0.0567
    POTLOK:  cpu time      1.1902: real time      1.1930
    EDDIAG:  cpu time    256.2060: real time    257.1863
    CHARGE:  cpu time      0.1149: real time      0.1153
 writing wavefunctions
     LOOP+:  cpu time   3517.2010: real time   3531.0366


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


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7661: real time      0.7675
    TRIAL :  cpu time    253.3931: real time    254.3557
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1156: real time      0.1159
    --------------------------------------------
      LOOP:  cpu time    254.6994: real time    255.7562

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1496181E-02  (-0.1733646E-02)
 number of electron      15.0000000 magnetization      -0.0000288
 augmentation part       -0.0011164 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.69603509
  -exchange      EXHF   =        33.32992929
  -V(xc)+E(xc)   XCENC  =       -83.53236143
  PAW double counting   =    101604.83640606  -101503.88293889
  entropy T*S    EENTRO =        -0.00204123
  eigenvalues    EBANDS =       -34.03058831
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88326715 eV

  energy without entropy =      -13.88122592  energy(sigma->0) =      -13.88258674
  exchange ACFDT corr.  =        -0.00386531  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7655: real time      0.7669
    TRIAL :  cpu time    254.3346: real time    255.2987
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1154: real time      0.1158
    --------------------------------------------
      LOOP:  cpu time    255.6383: real time    256.6057

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1175905E-02  (-0.1246346E-02)
 number of electron      15.0000000 magnetization      -0.0000282
 augmentation part       -0.0011127 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.11203043
  -exchange      EXHF   =        33.32705838
  -V(xc)+E(xc)   XCENC  =       -83.53341460
  PAW double counting   =    101597.30046239  -101496.34688418
  entropy T*S    EENTRO =        -0.00205877
  eigenvalues    EBANDS =       -34.61184498
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88444306 eV

  energy without entropy =      -13.88238429  energy(sigma->0) =      -13.88375680
  exchange ACFDT corr.  =        -0.00391846  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7670: real time      0.7683
    TRIAL :  cpu time    254.0885: real time    255.0556
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1155: real time      0.1159
    --------------------------------------------
      LOOP:  cpu time    255.3930: real time    256.3633

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8309088E-03  (-0.5399860E-03)
 number of electron      15.0000000 magnetization      -0.0000274
 augmentation part       -0.0011156 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -704.82732203
  -exchange      EXHF   =        33.32511777
  -V(xc)+E(xc)   XCENC  =       -83.53416995
  PAW double counting   =    101592.37140447  -101491.41777815
  entropy T*S    EENTRO =        -0.00199150
  eigenvalues    EBANDS =       -34.89471891
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88527396 eV

  energy without entropy =      -13.88328246  energy(sigma->0) =      -13.88461013
  exchange ACFDT corr.  =        -0.00392874  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4210
    SETDIJ:  cpu time      0.7650: real time      0.7664
    TRIAL :  cpu time    254.5661: real time    255.5522
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1152: real time      0.1156
    --------------------------------------------
      LOOP:  cpu time    255.8684: real time    256.8577

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3646378E-03  (-0.2511756E-03)
 number of electron      15.0000000 magnetization      -0.0000265
 augmentation part       -0.0011208 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -704.93045396
  -exchange      EXHF   =        33.32505871
  -V(xc)+E(xc)   XCENC  =       -83.53427203
  PAW double counting   =    101591.78668761  -101490.83311237
  entropy T*S    EENTRO =        -0.00193873
  eigenvalues    EBANDS =       -34.79180666
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88563860 eV

  energy without entropy =      -13.88369987  energy(sigma->0) =      -13.88499236
  exchange ACFDT corr.  =        -0.00389675  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7678: real time      0.7692
    TRIAL :  cpu time    254.3067: real time    255.2749
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1148: real time      0.1152
    --------------------------------------------
      LOOP:  cpu time    255.6121: real time    256.5834

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1572578E-03  (-0.1756660E-03)
 number of electron      15.0000000 magnetization      -0.0000256
 augmentation part       -0.0011241 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.05384746
  -exchange      EXHF   =        33.32572492
  -V(xc)+E(xc)   XCENC  =       -83.53410160
  PAW double counting   =    101594.60833391  -101493.65488715
  entropy T*S    EENTRO =        -0.00193002
  eigenvalues    EBANDS =       -34.66933136
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88579586 eV

  energy without entropy =      -13.88386584  energy(sigma->0) =      -13.88515252
  exchange ACFDT corr.  =        -0.00386699  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4189: real time      0.4203
    SETDIJ:  cpu time      0.7650: real time      0.7663
    TRIAL :  cpu time    254.2063: real time    255.1826
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1150: real time      0.1155
    --------------------------------------------
      LOOP:  cpu time    255.5078: real time    256.4873

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1237294E-03  (-0.8689794E-04)
 number of electron      15.0000000 magnetization      -0.0000246
 augmentation part       -0.0011246 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.04730831
  -exchange      EXHF   =        33.32625122
  -V(xc)+E(xc)   XCENC  =       -83.53394866
  PAW double counting   =    101599.94782205  -101498.99446569
  entropy T*S    EENTRO =        -0.00193248
  eigenvalues    EBANDS =       -34.67659179
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88591959 eV

  energy without entropy =      -13.88398711  energy(sigma->0) =      -13.88527543
  exchange ACFDT corr.  =        -0.00385500  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7674: real time      0.7688
    TRIAL :  cpu time    254.0672: real time    255.0147
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1154: real time      0.1158
    --------------------------------------------
      LOOP:  cpu time    255.3728: real time    256.3236

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6182131E-04  (-0.4631352E-04)
 number of electron      15.0000000 magnetization      -0.0000236
 augmentation part       -0.0011227 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.01689830
  -exchange      EXHF   =        33.32661327
  -V(xc)+E(xc)   XCENC  =       -83.53382712
  PAW double counting   =    101607.22448997  -101506.27114507
  entropy T*S    EENTRO =        -0.00191871
  eigenvalues    EBANDS =       -34.70753328
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88598141 eV

  energy without entropy =      -13.88406270  energy(sigma->0) =      -13.88534184
  exchange ACFDT corr.  =        -0.00384919  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7661: real time      0.7677
    TRIAL :  cpu time    254.2585: real time    255.2275
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1149: real time      0.1153
    --------------------------------------------
      LOOP:  cpu time    255.5617: real time    256.5341

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3254520E-04  (-0.3068431E-04)
 number of electron      15.0000000 magnetization      -0.0000224
 augmentation part       -0.0011190 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.04616902
  -exchange      EXHF   =        33.32693683
  -V(xc)+E(xc)   XCENC  =       -83.53370941
  PAW double counting   =    101615.57953099  -101514.62617538
  entropy T*S    EENTRO =        -0.00189813
  eigenvalues    EBANDS =       -34.67876086
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88601396 eV

  energy without entropy =      -13.88411583  energy(sigma->0) =      -13.88538125
  exchange ACFDT corr.  =        -0.00383853  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4215
    SETDIJ:  cpu time      0.7669: real time      0.7683
    TRIAL :  cpu time    254.2233: real time    255.1900
    CORREC:  cpu time      0.0020: real time      0.0020
    CHARGE:  cpu time      0.1157: real time      0.1161
    --------------------------------------------
      LOOP:  cpu time    255.5282: real time    256.4981

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2205943E-04  (-0.1593681E-04)
 number of electron      15.0000000 magnetization      -0.0000212
 augmentation part       -0.0011144 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.09082857
  -exchange      EXHF   =        33.32710043
  -V(xc)+E(xc)   XCENC  =       -83.53364569
  PAW double counting   =    101624.31480521  -101523.36144060
  entropy T*S    EENTRO =        -0.00188855
  eigenvalues    EBANDS =       -34.63438026
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88603601 eV

  energy without entropy =      -13.88414747  energy(sigma->0) =      -13.88540650
  exchange ACFDT corr.  =        -0.00382676  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4194: real time      0.4208
    SETDIJ:  cpu time      0.7649: real time      0.7665
    TRIAL :  cpu time    254.2390: real time    255.2016
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1154: real time      0.1158
    --------------------------------------------
      LOOP:  cpu time    255.5413: real time    256.5071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1267196E-04  (-0.1021929E-04)
 number of electron      15.0000000 magnetization      -0.0000201
 augmentation part       -0.0011100 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.09153030
  -exchange      EXHF   =        33.32702295
  -V(xc)+E(xc)   XCENC  =       -83.53366710
  PAW double counting   =    101632.26184341  -101531.30844262
  entropy T*S    EENTRO =        -0.00188725
  eigenvalues    EBANDS =       -34.63363809
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88604869 eV

  energy without entropy =      -13.88416144  energy(sigma->0) =      -13.88541960
  exchange ACFDT corr.  =        -0.00382092  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      3(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7655: real time      0.7670
    TRIAL :  cpu time    253.7271: real time    254.6907
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.1911: real time    257.1517
    CHARGE:  cpu time      0.1146: real time      0.1150
    --------------------------------------------
      LOOP:  cpu time    511.2210: real time    513.1484

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7477628E-05  (-0.5416627E-05)
 number of electron      15.0000000 magnetization      -0.0000189
 augmentation part       -0.0011064 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.51286735
  -Hartree energ DENC   =      -705.06290309
  -exchange      EXHF   =        33.32677680
  -V(xc)+E(xc)   XCENC  =       -83.53372337
  PAW double counting   =    101639.31899129  -101538.36559164
  entropy T*S    EENTRO =        -0.00188334
  eigenvalues    EBANDS =       -34.66204863
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88605616 eV

  energy without entropy =      -13.88417282  energy(sigma->0) =      -13.88542838
  exchange ACFDT corr.  =        -0.00381906  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0489


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8009       2 -69.7092       3 -69.7721       4 -69.7072       5 -69.8148
 
 
 
 E-fermi :   3.2718     XC(G=0):  -5.1120     alpha+bet : -8.9779

 Fermi energy:         3.2718347900

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8593      1.00000
      2      -9.9518      1.00000
      3      -8.5772      1.00000
      4      -6.6843      1.00000
      5      -4.2570      1.00000
      6      -1.5050      1.00000
      7       1.7381      1.00000
      8       4.6781     -0.00000
      9       5.3599     -0.00000
     10       7.9123     -0.00000
     11       8.0042     -0.00000
     12      11.8900      0.00000
     13      12.2031      0.00000
     14      16.1003      0.00000
     15      16.3201      0.00000
     16      16.6891      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4328      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0283      0.00000
     13      12.3068      0.00000
     14      12.8449      0.00000
     15      13.5967      0.00000
     16      14.2178      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4328      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0281      0.00000
     13      12.3067      0.00000
     14      12.8447      0.00000
     15      13.6046      0.00000
     16      14.3486      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4328      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0282      0.00000
     13      12.3066      0.00000
     14      12.8448      0.00000
     15      13.5987      0.00000
     16      14.5112      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6788      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7292      0.00000
     14      10.8022      0.00000
     15      12.3749      0.00000
     16      12.6663      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6788      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7290      0.00000
     14      10.8022      0.00000
     15      12.6144      0.00000
     16      12.8911      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6788      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7289      0.00000
     14      10.8022      0.00000
     15      12.3474      0.00000
     16      12.6388      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6280      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9542     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7230      0.00000
     15       9.9667      0.00000
     16      11.4258      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6280      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9542     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7208      0.00000
     15       9.9652      0.00000
     16      10.8689      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6280      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9542     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7210      0.00000
     15       9.9651      0.00000
     16      10.8706      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7710     -0.00119
     10       5.4886     -0.00000
     11       5.7040     -0.00000
     12       7.7216     -0.00000
     13       8.2046     -0.00000
     14       8.6856     -0.00000
     15       9.9865      0.00000
     16      11.1776      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7710     -0.00119
     10       5.4886     -0.00000
     11       5.7040     -0.00000
     12       7.7216     -0.00000
     13       8.2049     -0.00000
     14       8.6856     -0.00000
     15      10.1553      0.00000
     16      11.0365      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7710     -0.00119
     10       5.4886     -0.00000
     11       5.7040     -0.00000
     12       7.7216     -0.00000
     13       8.2045     -0.00000
     14       8.6856     -0.00000
     15       9.9688      0.00000
     16      10.9422      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3467      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6045      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6242     -0.00000
     14       9.7888      0.00000
     15      10.0097      0.00000
     16      10.5085      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3466      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6046      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6242     -0.00000
     14       9.7812      0.00000
     15      10.0081      0.00000
     16      10.5120      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3466      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6045      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6242     -0.00000
     14       9.7827      0.00000
     15       9.9976      0.00000
     16      10.5114      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0224      0.00000
     13      11.0453      0.00000
     14      11.5611      0.00000
     15      11.7026      0.00000
     16      12.6432      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0156      0.00000
     13      11.0496      0.00000
     14      11.5429      0.00000
     15      11.7568      0.00000
     16      12.6003      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0161      0.00000
     13      11.0487      0.00000
     14      11.5455      0.00000
     15      11.7213      0.00000
     16      12.6180      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9768      0.00000
     13       9.1620      0.00000
     14       9.5922      0.00000
     15       9.8261      0.00000
     16      10.2631      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9766      0.00000
     13       9.1618      0.00000
     14       9.5948      0.00000
     15       9.8198      0.00000
     16      10.2637      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9766      0.00000
     13       9.1618      0.00000
     14       9.5927      0.00000
     15       9.8255      0.00000
     16      10.2876      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9764      0.00000
     13       9.1616      0.00000
     14       9.5931      0.00000
     15       9.8213      0.00000
     16      10.2599      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9776      0.00000
     13       9.1623      0.00000
     14       9.5942      0.00000
     15       9.8200      0.00000
     16      10.3007      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8291      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03069
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9767      0.00000
     13       9.1616      0.00000
     14       9.5923      0.00000
     15       9.8220      0.00000
     16      10.2624      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73985
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5116     -0.00000
     13       8.0469     -0.00000
     14       8.5236     -0.00000
     15       9.0257      0.00000
     16       9.6429      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73985
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0461     -0.00000
     14       8.5203     -0.00000
     15       9.0261      0.00000
     16       9.6317      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73983
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0456     -0.00000
     14       8.5219     -0.00000
     15       9.0293      0.00000
     16       9.6338      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73985
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0461     -0.00000
     14       8.5213     -0.00000
     15       9.0295      0.00000
     16       9.6330      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73982
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0457     -0.00000
     14       8.5212     -0.00000
     15       9.0248      0.00000
     16       9.7041      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73986
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0454     -0.00000
     14       8.5200     -0.00000
     15       9.0287      0.00000
     16       9.9329      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7282     -0.00000
     14       8.5158     -0.00000
     15       9.0487      0.00000
     16       9.7069      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3305      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7281     -0.00000
     14       8.4729     -0.00000
     15       9.2492      0.00000
     16       9.7307      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7396     -0.00000
     14       8.4557     -0.00000
     15       8.9247      0.00000
     16       9.5203      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7324     -0.00000
     14       8.5139     -0.00000
     15       8.9228      0.00000
     16       9.6493      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3305      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7277     -0.00000
     14       8.6180     -0.00000
     15       9.3295      0.00000
     16       9.6540      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7311     -0.00000
     14       8.4570     -0.00000
     15       8.9358      0.00000
     16       9.4686      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8372     -0.00000
     12       6.2185     -0.00000
     13       7.4030     -0.00000
     14       8.1696     -0.00000
     15       9.0102      0.00000
     16       9.4088      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8373     -0.00000
     12       6.2185     -0.00000
     13       7.4030     -0.00000
     14       8.1690     -0.00000
     15       8.9917      0.00000
     16       9.2829      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8372     -0.00000
     12       6.2185     -0.00000
     13       7.4030     -0.00000
     14       8.1688     -0.00000
     15       8.9933      0.00000
     16       9.2991      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3099     -0.00000
     13       7.7821     -0.00000
     14       7.8928     -0.00000
     15       8.0202     -0.00000
     16       9.5228      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3100     -0.00000
     13       7.7825     -0.00000
     14       7.8924     -0.00000
     15       8.0202     -0.00000
     16       9.7445      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3100     -0.00000
     13       7.7832     -0.00000
     14       7.8933     -0.00000
     15       8.0204     -0.00000
     16       9.5455      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6323     -0.00000
     14       7.1796     -0.00000
     15       8.6792      0.00000
     16       9.0718      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6328     -0.00000
     14       7.1661     -0.00000
     15       8.5952     -0.00000
     16       8.9118      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6325     -0.00000
     14       7.1662     -0.00000
     15       8.5076     -0.00000
     16       8.8342      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6320     -0.00000
     14       7.1713     -0.00000
     15       8.5657     -0.00000
     16       8.9136      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6324     -0.00000
     14       7.1677     -0.00000
     15       8.4930     -0.00000
     16       9.0855      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9496      1.00000
      7       2.7772      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6322     -0.00000
     14       7.1664     -0.00000
     15       8.7257      0.00000
     16       9.2097      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80112
     10       4.1196     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7778     -0.00000
     15       7.9459     -0.00000
     16       8.3494     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80108
     10       4.1196     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7776     -0.00000
     15       7.9640     -0.00000
     16       8.3668     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80116
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7777     -0.00000
     15       7.9313     -0.00000
     16       8.3986     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80112
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8827     -0.00000
     14       6.7777     -0.00000
     15       7.9536     -0.00000
     16       8.3601     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80116
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7776     -0.00000
     15       8.1285     -0.00000
     16       8.3016     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80108
     10       4.1196     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7778     -0.00000
     15       7.9435     -0.00000
     16       8.4212     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2547      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1688      1.00000
      9       2.9107      1.01420
     10       3.4298      0.01328
     11       4.2003     -0.00000
     12       5.3061     -0.00000
     13       5.3824     -0.00000
     14       6.0469     -0.00000
     15       7.8664     -0.00000
     16       8.2051     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2547      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1687      1.00000
      9       2.9107      1.01420
     10       3.4298      0.01332
     11       4.2003     -0.00000
     12       5.3061     -0.00000
     13       5.3824     -0.00000
     14       6.0469     -0.00000
     15       7.8975     -0.00000
     16       7.9704     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2547      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1687      1.00000
      9       2.9107      1.01420
     10       3.4298      0.01330
     11       4.2003     -0.00000
     12       5.3062     -0.00000
     13       5.3824     -0.00000
     14       6.0469     -0.00000
     15       7.8968     -0.00000
     16       8.0141     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9189     -0.00002
     12       5.2099     -0.00000
     13       5.4206     -0.00000
     14       5.6256     -0.00000
     15       7.3066     -0.00000
     16       7.6344     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9190     -0.00002
     12       5.2099     -0.00000
     13       5.4205     -0.00000
     14       5.6256     -0.00000
     15       7.3262     -0.00000
     16       7.7060     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9189     -0.00002
     12       5.2099     -0.00000
     13       5.4206     -0.00000
     14       5.6256     -0.00000
     15       7.3056     -0.00000
     16       7.6745     -0.00000
 Fermi energy:         3.2718347900

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8593      1.00000
      2      -9.9518      1.00000
      3      -8.5772      1.00000
      4      -6.6843      1.00000
      5      -4.2570      1.00000
      6      -1.5050      1.00000
      7       1.7381      1.00000
      8       4.6781     -0.00000
      9       5.3599     -0.00000
     10       7.9123     -0.00000
     11       8.0042     -0.00000
     12      11.8900      0.00000
     13      12.2032      0.00000
     14      16.1096      0.00000
     15      16.2669      0.00000
     16      16.6812      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4329      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0282      0.00000
     13      12.3070      0.00000
     14      12.8449      0.00000
     15      13.5982      0.00000
     16      14.4244      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4329      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0282      0.00000
     13      12.3069      0.00000
     14      12.8449      0.00000
     15      13.5963      0.00000
     16      14.4104      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6115      1.00000
      2      -9.7035      1.00000
      3      -8.3276      1.00000
      4      -6.4329      1.00000
      5      -4.0002      1.00000
      6      -1.2540      1.00000
      7       1.9925      1.00000
      8       4.8959     -0.00000
      9       5.5676     -0.00000
     10       8.1118     -0.00000
     11       8.2000     -0.00000
     12      12.0283      0.00000
     13      12.3067      0.00000
     14      12.8448      0.00000
     15      13.5982      0.00000
     16      14.4007      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6789      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7288      0.00000
     14      10.8022      0.00000
     15      12.3302      0.00000
     16      12.7408      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6789      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7288      0.00000
     14      10.8021      0.00000
     15      12.3372      0.00000
     16      12.6375      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8681      1.00000
      2      -8.9584      1.00000
      3      -7.5786      1.00000
      4      -5.6789      1.00000
      5      -3.2328      1.00000
      6      -0.5046      1.00000
      7       2.7293      1.00042
      8       5.5200     -0.00000
      9       6.1816     -0.00000
     10       8.4006     -0.00000
     11       8.7474      0.00000
     12       9.2860      0.00000
     13       9.7289      0.00000
     14      10.8021      0.00000
     15      12.3486      0.00000
     16      12.6339      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6281      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9542     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7205      0.00000
     15       9.9645      0.00000
     16      10.8810      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6281      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9541     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7207      0.00000
     15       9.9653      0.00000
     16      10.8687      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6281      1.00000
      2      -7.7153      1.00000
      3      -6.3291      1.00000
      4      -4.4238      1.00000
      5      -1.9663      1.00000
      6       0.7187      1.00000
      7       3.7450     -0.00209
      8       5.0388     -0.00000
      9       5.9542     -0.00000
     10       6.7242     -0.00000
     11       7.1823     -0.00000
     12       7.3295     -0.00000
     13       8.8301      0.00000
     14       9.7214      0.00000
     15       9.9651      0.00000
     16      10.8702      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7710     -0.00119
     10       5.4886     -0.00000
     11       5.7040     -0.00000
     12       7.7216     -0.00000
     13       8.2046     -0.00000
     14       8.6860     -0.00000
     15       9.9688      0.00000
     16      10.9493      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7709     -0.00119
     10       5.4886     -0.00000
     11       5.7039     -0.00000
     12       7.7216     -0.00000
     13       8.2045     -0.00000
     14       8.6856     -0.00000
     15       9.9703      0.00000
     16      10.9729      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -5.9710      1.00000
      3      -4.5782      1.00000
      4      -2.6777      1.00000
      5      -0.2831      1.00000
      6       1.2235      1.00000
      7       2.0978      1.00000
      8       2.8618      1.00677
      9       3.7710     -0.00119
     10       5.4886     -0.00000
     11       5.7040     -0.00000
     12       7.7216     -0.00000
     13       8.2047     -0.00000
     14       8.6861     -0.00000
     15       9.9699      0.00000
     16      10.9620      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3467      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6046      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6242     -0.00000
     14       9.7841      0.00000
     15      10.0205      0.00000
     16      10.5116      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3467      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6045      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6243     -0.00000
     14       9.8471      0.00000
     15      10.1811      0.00000
     16      10.4452      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6455      1.00000
      2      -3.7256      1.00000
      3      -2.3467      1.00000
      4      -1.9119      1.00000
      5      -1.0785      1.00000
      6      -0.5144      1.00000
      7       0.5832      1.00000
      8       2.1887      1.00000
      9       2.6046      1.00001
     10       4.6564     -0.00000
     11       4.8794     -0.00000
     12       7.1652     -0.00000
     13       7.6242     -0.00000
     14       9.7859      0.00000
     15       9.9970      0.00000
     16      10.5091      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0161      0.00000
     13      11.0522      0.00000
     14      11.5455      0.00000
     15      11.7500      0.00000
     16      12.5915      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0139      0.00000
     13      11.0481      0.00000
     14      11.5507      0.00000
     15      11.6765      0.00000
     16      12.5931      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1159      1.00000
      2      -9.2068      1.00000
      3      -7.8283      1.00000
      4      -5.9301      1.00000
      5      -3.4881      1.00000
      6      -0.7536      1.00000
      7       2.4890      1.00000
      8       5.3207     -0.00000
      9       5.9796     -0.00000
     10       8.4916     -0.00000
     11       8.5546     -0.00000
     12      11.0148      0.00000
     13      11.0478      0.00000
     14      11.5451      0.00000
     15      11.7341      0.00000
     16      12.5868      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9768      0.00000
     13       9.1625      0.00000
     14       9.5926      0.00000
     15       9.8199      0.00000
     16      10.4160      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9777      0.00000
     13       9.1664      0.00000
     14       9.5950      0.00000
     15       9.8307      0.00000
     16      10.4055      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9767      0.00000
     13       9.1627      0.00000
     14       9.5937      0.00000
     15       9.8210      0.00000
     16      10.2931      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9767      0.00000
     13       9.1627      0.00000
     14       9.5926      0.00000
     15       9.8212      0.00000
     16      10.2700      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9764      0.00000
     13       9.1616      0.00000
     14       9.5918      0.00000
     15       9.8220      0.00000
     16      10.2562      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1242      1.00000
      2      -8.2128      1.00000
      3      -6.8292      1.00000
      4      -4.9256      1.00000
      5      -2.4705      1.00000
      6       0.2369      1.00000
      7       3.4181      0.03073
      8       6.0098     -0.00000
      9       6.7310     -0.00000
     10       7.3143     -0.00000
     11       7.9045     -0.00000
     12       8.9764      0.00000
     13       9.1617      0.00000
     14       9.5921      0.00000
     15       9.8207      0.00000
     16      10.2645      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73993
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0460     -0.00000
     14       8.5223     -0.00000
     15       9.0254      0.00000
     16       9.6424      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73994
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5116     -0.00000
     13       8.0454     -0.00000
     14       8.5212     -0.00000
     15       9.0252      0.00000
     16       9.7171      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73994
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5117     -0.00000
     13       8.0455     -0.00000
     14       8.5232     -0.00000
     15       9.0258      0.00000
     16       9.6325      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73993
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5116     -0.00000
     13       8.0454     -0.00000
     14       8.5181     -0.00000
     15       9.0349      0.00000
     16      10.2191      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73994
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5116     -0.00000
     13       8.0456     -0.00000
     14       8.5209     -0.00000
     15       9.0275      0.00000
     16       9.6665      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6344      1.00000
      2      -6.7192      1.00000
      3      -5.3286      1.00000
      4      -3.4232      1.00000
      5      -0.9746      1.00000
      6       1.6267      1.00000
      7       3.2125      0.73995
      8       4.2121     -0.00000
      9       5.1155     -0.00000
     10       5.6050     -0.00000
     11       7.1881     -0.00000
     12       7.5116     -0.00000
     13       8.0457     -0.00000
     14       8.5243     -0.00000
     15       9.0255      0.00000
     16       9.6542      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7281     -0.00000
     14       8.5685     -0.00000
     15       9.0154      0.00000
     16       9.6703      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6425      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7291     -0.00000
     14       8.4703     -0.00000
     15       8.9685      0.00000
     16       9.7165      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7277     -0.00000
     14       8.4741     -0.00000
     15       8.9807      0.00000
     16       9.4865      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7282     -0.00000
     14       8.4550     -0.00000
     15       9.1891      0.00000
     16       9.4268      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7363     -0.00000
     14       8.4579     -0.00000
     15       8.9759      0.00000
     16       9.5928      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6424      1.00000
      2      -4.7230      1.00000
      3      -3.3306      1.00000
      4      -1.4621      1.00000
      5      -0.2177      1.00000
      6       0.4590      1.00000
      7       1.3283      1.00000
      8       2.4104      1.00000
      9       3.7931     -0.00071
     10       4.1229     -0.00000
     11       6.2521     -0.00000
     12       6.7028     -0.00000
     13       7.7280     -0.00000
     14       8.4577     -0.00000
     15       8.9319      0.00000
     16       9.7020      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8373     -0.00000
     12       6.2184     -0.00000
     13       7.4030     -0.00000
     14       8.1694     -0.00000
     15       9.0168      0.00000
     16       9.2951      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8372     -0.00000
     12       6.2184     -0.00000
     13       7.4030     -0.00000
     14       8.1687     -0.00000
     15       8.9917      0.00000
     16       9.2860      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1640      1.00000
      2      -3.1341      1.00000
      3      -2.2481      1.00000
      4      -2.2284      1.00000
      5      -1.0913      1.00000
      6      -0.6913      1.00000
      7       0.8533      1.00000
      8       1.6117      1.00000
      9       3.5861     -0.02442
     10       3.7300     -0.00282
     11       5.8372     -0.00000
     12       6.2184     -0.00000
     13       7.4030     -0.00000
     14       8.1687     -0.00000
     15       8.9910      0.00000
     16       9.2806      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3099     -0.00000
     13       7.7823     -0.00000
     14       7.8926     -0.00000
     15       8.0214     -0.00000
     16       9.9269      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3099     -0.00000
     13       7.7811     -0.00000
     14       7.8926     -0.00000
     15       8.0205     -0.00000
     16       9.8652      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8828      1.00000
      2      -6.9684      1.00000
      3      -5.5789      1.00000
      4      -3.6731      1.00000
      5      -1.2179      1.00000
      6       1.4367      1.00000
      7       4.3240     -0.00000
      8       5.4916     -0.00000
      9       5.8748     -0.00000
     10       6.4861     -0.00000
     11       6.7773     -0.00000
     12       7.3099     -0.00000
     13       7.7813     -0.00000
     14       7.8925     -0.00000
     15       8.0203     -0.00000
     16       9.6109      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6328     -0.00000
     14       7.1660     -0.00000
     15       8.5017     -0.00000
     16       8.8973      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6319     -0.00000
     14       7.1668     -0.00000
     15       8.6518     -0.00000
     16       9.2248      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6326     -0.00000
     14       7.1665     -0.00000
     15       8.6738     -0.00000
     16       9.1492      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6332     -0.00000
     14       7.1661     -0.00000
     15       8.5025     -0.00000
     16       8.8595      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6328     -0.00000
     14       7.1676     -0.00000
     15       8.5006     -0.00000
     16       9.0688      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1402      1.00000
      2      -5.2225      1.00000
      3      -3.8281      1.00000
      4      -1.9364      1.00000
      5       0.4313      1.00000
      6       1.9495      1.00000
      7       2.7771      1.00130
      8       3.5172     -0.03546
      9       4.4346     -0.00000
     10       4.6373     -0.00000
     11       5.4893     -0.00000
     12       6.0825     -0.00000
     13       6.6319     -0.00000
     14       7.1663     -0.00000
     15       8.8554      0.00000
     16       9.2660      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80115
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7776     -0.00000
     15       7.9552     -0.00000
     16       8.3018     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80122
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7779     -0.00000
     15       7.9316     -0.00000
     16       8.4086     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80114
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7778     -0.00000
     15       7.9301     -0.00000
     16       8.3437     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80113
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7778     -0.00000
     15       7.9322     -0.00000
     16       8.4310     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80112
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8826     -0.00000
     14       6.7776     -0.00000
     15       7.9372     -0.00000
     16       8.3641     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8931      1.00000
      2      -2.9780      1.00000
      3      -1.6046      1.00000
      4      -1.1609      1.00000
      5      -0.3457      1.00000
      6       0.2021      1.00000
      7       1.3094      1.00000
      8       2.8120      1.00270
      9       3.1947      0.80122
     10       4.1195     -0.00000
     11       4.8140     -0.00000
     12       5.6193     -0.00000
     13       5.8825     -0.00000
     14       6.7776     -0.00000
     15       7.9583     -0.00000
     16       8.4143     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2546      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1687      1.00000
      9       2.9107      1.01419
     10       3.4298      0.01334
     11       4.2003     -0.00000
     12       5.3061     -0.00000
     13       5.3823     -0.00000
     14       6.0468     -0.00000
     15       7.8832     -0.00000
     16       8.1564     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2546      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1687      1.00000
      9       2.9107      1.01420
     10       3.4298      0.01332
     11       4.2003     -0.00000
     12       5.3061     -0.00000
     13       5.3823     -0.00000
     14       6.0469     -0.00000
     15       7.8540     -0.00000
     16       7.9436     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1412      1.00000
      2      -3.2260      1.00000
      3      -1.8409      1.00000
      4      -0.0317      1.00000
      5       1.2546      1.00000
      6       1.2623      1.00000
      7       1.7402      1.00000
      8       2.1687      1.00000
      9       2.9107      1.01419
     10       3.4298      0.01332
     11       4.2003     -0.00000
     12       5.3061     -0.00000
     13       5.3824     -0.00000
     14       6.0468     -0.00000
     15       7.8859     -0.00000
     16       8.0130     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9189     -0.00002
     12       5.2099     -0.00000
     13       5.4205     -0.00000
     14       5.6256     -0.00000
     15       7.3149     -0.00000
     16       7.6852     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9189     -0.00002
     12       5.2099     -0.00000
     13       5.4205     -0.00000
     14       5.6256     -0.00000
     15       7.3169     -0.00000
     16       7.6356     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6636      1.00000
      2      -1.6315      1.00000
      3      -0.7667      1.00000
      4      -0.7473      1.00000
      5       0.3576      1.00000
      6       0.7348      1.00000
      7       1.0507      1.00000
      8       1.7726      1.00000
      9       2.3385      1.00000
     10       2.6000      1.00001
     11       3.9189     -0.00002
     12       5.2099     -0.00000
     13       5.4205     -0.00000
     14       5.6256     -0.00000
     15       7.3071     -0.00000
     16       7.6486     -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
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.489   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469   0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469   0.000   0.000  15.767   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.272 -62.101   0.000  -0.062  -0.000  -0.000  -0.025   0.000
-62.101  33.169  -0.000   0.024   0.000   0.000   0.015  -0.000
  0.000  -0.000   2.118   0.000  -0.000  -0.328  -0.000   0.000
 -0.062   0.024   0.000   1.656   0.000  -0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.118   0.000  -0.000  -0.328
 -0.000   0.000  -0.328  -0.000   0.000   0.051   0.000  -0.000
 -0.025   0.015  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  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  -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      0.0010: real time      0.0010
    FORHF :  cpu time    195.2280: real time    195.9234
    FORNL :  cpu time      0.0791: real time      0.0794
    FORCOR:  cpu time      1.1848: real time      1.1877
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.127E-04 -.100E-04 0.183E+03   0.505E-13 0.260E-13 -.182E+03   0.148E-04 0.101E-04 -.124E+01
   0.659E-05 -.132E-05 0.913E+02   -.105E-14 0.375E-14 -.914E+02   -.746E-05 0.937E-06 0.350E+00
   0.117E-04 0.172E-05 0.108E+00   -.142E-12 -.811E-13 -.604E-01   -.102E-04 -.460E-05 -.101E+00
   0.911E-05 0.762E-05 -.922E+02   0.140E-12 0.799E-13 0.922E+02   -.649E-05 -.451E-05 -.105E+00
   0.809E-05 0.135E-05 -.182E+03   -.433E-13 -.250E-13 0.181E+03   -.110E-04 0.714E-07 0.109E+01
 -----------------------------------------------------------------------------------------------
   0.241E-04 -.819E-06 0.128E-01   0.439E-14 0.346E-14 -.284E-13   -.204E-04 0.198E-05 -.142E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.098643
      0.00000      0.00000      2.33311        -0.000001     -0.000001      0.188172
      1.42873      0.82488      4.66622         0.000001     -0.000003     -0.050448
      2.85746      1.64976      6.98060         0.000003      0.000003     -0.071611
      0.00000      0.00000      9.34247        -0.000004      0.000001      0.032531
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000002     -0.001504


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88605616 eV

  energy  without entropy=      -13.88417282  energy(sigma->0) =      -13.88542838
 
 d Force = 0.1232136E-02[ 0.862E-03, 0.160E-02]  d Energy = 0.1286891E-02-0.548E-04
 d Force = 0.5113722E-01[ 0.480E-01, 0.543E-01]  d Ewald  = 0.5113823E-01-0.101E-05


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


    POTLOK:  cpu time      1.1871: real time      1.1899


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0592
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0564: real time      0.0566
    POTLOK:  cpu time      1.1864: real time      1.1893
    EDDIAG:  cpu time    256.1843: real time    257.1596
    CHARGE:  cpu time      0.1135: real time      0.1139
 writing wavefunctions
     LOOP+:  cpu time   3521.8202: real time   3535.5069


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


    POTLOK:  cpu time      0.4173: real time      0.4187
    SETDIJ:  cpu time      0.7665: real time      0.7680
    TRIAL :  cpu time    254.6308: real time    255.5934
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1147: real time      0.1150
    --------------------------------------------
      LOOP:  cpu time    255.9334: real time    256.9967

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1104736E-01  (-0.8890515E-02)
 number of electron      15.0000000 magnetization      -0.0000102
 augmentation part       -0.0012936 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -706.28511766
  -exchange      EXHF   =        33.32418993
  -V(xc)+E(xc)   XCENC  =       -83.53497721
  PAW double counting   =    101502.14934800  -101401.19561270
  entropy T*S    EENTRO =        -0.00063957
  eigenvalues    EBANDS =       -33.34315934
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87500132 eV

  energy without entropy =      -13.87436175  energy(sigma->0) =      -13.87478813
  exchange ACFDT corr.  =        -0.00316436  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7663: real time      0.7678
    TRIAL :  cpu time    253.7595: real time    254.7023
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1146: real time      0.1150
    --------------------------------------------
      LOOP:  cpu time    255.0632: real time    256.0093

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4387079E-02  (-0.6908322E-02)
 number of electron      15.0000000 magnetization      -0.0000104
 augmentation part       -0.0012745 magnetization      -0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.15707427
  -exchange      EXHF   =        33.31874869
  -V(xc)+E(xc)   XCENC  =       -83.53699270
  PAW double counting   =    101484.08829435  -101383.13431553
  entropy T*S    EENTRO =        -0.00065932
  eigenvalues    EBANDS =       -34.46816672
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87938840 eV

  energy without entropy =      -13.87872908  energy(sigma->0) =      -13.87916863
  exchange ACFDT corr.  =        -0.00325299  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7655: real time      0.7669
    TRIAL :  cpu time    254.2087: real time    255.1645
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1147: real time      0.1151
    --------------------------------------------
      LOOP:  cpu time    255.5110: real time    256.4700

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3961242E-02  (-0.2134546E-02)
 number of electron      15.0000000 magnetization      -0.0000107
 augmentation part       -0.0012679 magnetization      -0.0000018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -704.62535893
  -exchange      EXHF   =        33.31532794
  -V(xc)+E(xc)   XCENC  =       -83.53837702
  PAW double counting   =    101475.02359336  -101374.06958237
  entropy T*S    EENTRO =        -0.00054890
  eigenvalues    EBANDS =       -34.99905063
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88334964 eV

  energy without entropy =      -13.88280074  energy(sigma->0) =      -13.88316668
  exchange ACFDT corr.  =        -0.00327215  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7668: real time      0.7681
    TRIAL :  cpu time    254.6185: real time    255.5735
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1146: real time      0.1150
    --------------------------------------------
      LOOP:  cpu time    255.9229: real time    256.8811

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1453284E-02  (-0.1246782E-02)
 number of electron      15.0000000 magnetization      -0.0000109
 augmentation part       -0.0012679 magnetization      -0.0000019

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -704.80417961
  -exchange      EXHF   =        33.31530709
  -V(xc)+E(xc)   XCENC  =       -83.53856270
  PAW double counting   =    101476.88407153  -101375.93016573
  entropy T*S    EENTRO =        -0.00046428
  eigenvalues    EBANDS =       -34.82148196
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88480293 eV

  energy without entropy =      -13.88433865  energy(sigma->0) =      -13.88464817
  exchange ACFDT corr.  =        -0.00322331  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7668: real time      0.7682
    TRIAL :  cpu time    255.0423: real time    256.0113
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1148: real time      0.1152
    --------------------------------------------
      LOOP:  cpu time    256.3469: real time    257.3192

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5723185E-03  (-0.9571709E-03)
 number of electron      15.0000000 magnetization      -0.0000109
 augmentation part       -0.0012666 magnetization      -0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.02859767
  -exchange      EXHF   =        33.31655764
  -V(xc)+E(xc)   XCENC  =       -83.53824232
  PAW double counting   =    101486.74241434  -101385.78863762
  entropy T*S    EENTRO =        -0.00043753
  eigenvalues    EBANDS =       -34.59916268
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88537524 eV

  energy without entropy =      -13.88493771  energy(sigma->0) =      -13.88522940
  exchange ACFDT corr.  =        -0.00317724  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7656: real time      0.7670
    TRIAL :  cpu time    253.5208: real time    254.5202
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1148: real time      0.1152
    --------------------------------------------
      LOOP:  cpu time    254.8246: real time    255.8271

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5656511E-03  (-0.3410105E-03)
 number of electron      15.0000000 magnetization      -0.0000107
 augmentation part       -0.0012611 magnetization      -0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.03432453
  -exchange      EXHF   =        33.31760310
  -V(xc)+E(xc)   XCENC  =       -83.53793730
  PAW double counting   =    101504.19153409  -101403.23785047
  entropy T*S    EENTRO =        -0.00043769
  eigenvalues    EBANDS =       -34.59528560
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88594090 eV

  energy without entropy =      -13.88550321  energy(sigma->0) =      -13.88579500
  exchange ACFDT corr.  =        -0.00314968  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7650: real time      0.7664
    TRIAL :  cpu time    253.8872: real time    254.8644
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1147: real time      0.1151
    --------------------------------------------
      LOOP:  cpu time    255.1897: real time    256.1702

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2427880E-03  (-0.2109977E-03)
 number of electron      15.0000000 magnetization      -0.0000103
 augmentation part       -0.0012528 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -704.97950301
  -exchange      EXHF   =        33.31825691
  -V(xc)+E(xc)   XCENC  =       -83.53771281
  PAW double counting   =    101526.20712704  -101425.25354080
  entropy T*S    EENTRO =        -0.00041522
  eigenvalues    EBANDS =       -34.65113068
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88618368 eV

  energy without entropy =      -13.88576847  energy(sigma->0) =      -13.88604528
  exchange ACFDT corr.  =        -0.00313618  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4214: real time      0.4229
    SETDIJ:  cpu time      0.7659: real time      0.7673
    TRIAL :  cpu time    254.2350: real time    255.2182
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1145: real time      0.1149
    --------------------------------------------
      LOOP:  cpu time    255.5394: real time    256.5258

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1148084E-03  (-0.1554091E-03)
 number of electron      15.0000000 magnetization      -0.0000097
 augmentation part       -0.0012421 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.02829968
  -exchange      EXHF   =        33.31882257
  -V(xc)+E(xc)   XCENC  =       -83.53749896
  PAW double counting   =    101549.95277438  -101448.99920416
  entropy T*S    EENTRO =        -0.00037666
  eigenvalues    EBANDS =       -34.60323476
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88629849 eV

  energy without entropy =      -13.88592183  energy(sigma->0) =      -13.88617294
  exchange ACFDT corr.  =        -0.00311818  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7642: real time      0.7656
    TRIAL :  cpu time    254.4306: real time    255.3870
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1143: real time      0.1147
    --------------------------------------------
      LOOP:  cpu time    255.7317: real time    256.6913

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9534155E-04  (-0.6103541E-04)
 number of electron      15.0000000 magnetization      -0.0000091
 augmentation part       -0.0012303 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.11541252
  -exchange      EXHF   =        33.31914590
  -V(xc)+E(xc)   XCENC  =       -83.53737587
  PAW double counting   =    101573.78910096  -101472.83550319
  entropy T*S    EENTRO =        -0.00035866
  eigenvalues    EBANDS =       -34.51672980
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88639383 eV

  energy without entropy =      -13.88603517  energy(sigma->0) =      -13.88627428
  exchange ACFDT corr.  =        -0.00309703  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7691: real time      0.7706
    TRIAL :  cpu time    254.8525: real time    255.8187
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1147: real time      0.1151
    --------------------------------------------
      LOOP:  cpu time    256.1589: real time    257.1283

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4816293E-04  (-0.4255863E-04)
 number of electron      15.0000000 magnetization      -0.0000084
 augmentation part       -0.0012187 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.11947414
  -exchange      EXHF   =        33.31900479
  -V(xc)+E(xc)   XCENC  =       -83.53741536
  PAW double counting   =    101595.58534928  -101494.63169766
  entropy T*S    EENTRO =        -0.00035606
  eigenvalues    EBANDS =       -34.51260759
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88644200 eV

  energy without entropy =      -13.88608593  energy(sigma->0) =      -13.88632331
  exchange ACFDT corr.  =        -0.00308664  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7656: real time      0.7669
    TRIAL :  cpu time    254.2227: real time    255.2058
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1142: real time      0.1146
    --------------------------------------------
      LOOP:  cpu time    255.5255: real time    256.5117

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2639822E-04  (-0.2533584E-04)
 number of electron      15.0000000 magnetization      -0.0000077
 augmentation part       -0.0012091 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.06513484
  -exchange      EXHF   =        33.31867559
  -V(xc)+E(xc)   XCENC  =       -83.53752473
  PAW double counting   =    101615.27317131  -101514.31949087
  entropy T*S    EENTRO =        -0.00034828
  eigenvalues    EBANDS =       -34.56656612
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88646840 eV

  energy without entropy =      -13.88612012  energy(sigma->0) =      -13.88635230
  exchange ACFDT corr.  =        -0.00308321  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4208
    SETDIJ:  cpu time      0.7660: real time      0.7674
    TRIAL :  cpu time    254.1475: real time    255.1015
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1144: real time      0.1148
    --------------------------------------------
      LOOP:  cpu time    255.4499: real time    256.4070

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1589589E-04  (-0.9790541E-05)
 number of electron      15.0000000 magnetization      -0.0000071
 augmentation part       -0.0012019 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.03617814
  -exchange      EXHF   =        33.31851974
  -V(xc)+E(xc)   XCENC  =       -83.53758295
  PAW double counting   =    101632.86078647  -101531.90710504
  entropy T*S    EENTRO =        -0.00033463
  eigenvalues    EBANDS =       -34.59533343
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88648429 eV

  energy without entropy =      -13.88614966  energy(sigma->0) =      -13.88637275
  exchange ACFDT corr.  =        -0.00307757  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4221: real time      0.4235
    SETDIJ:  cpu time      0.7655: real time      0.7669
    TRIAL :  cpu time    254.5712: real time    255.5399
    CORREC:  cpu time      0.0020: real time      0.0020
    EDDIAG:  cpu time    254.5473: real time    255.4777
    CHARGE:  cpu time      0.1135: real time      0.1139
    --------------------------------------------
      LOOP:  cpu time    510.4221: real time    512.3243

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7590836E-05  (-0.5699162E-05)
 number of electron      15.0000000 magnetization      -0.0000065
 augmentation part       -0.0011966 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.42937310
  -Hartree energ DENC   =      -705.04716046
  -exchange      EXHF   =        33.31865812
  -V(xc)+E(xc)   XCENC  =       -83.53757676
  PAW double counting   =    101647.91750309  -101546.96382796
  entropy T*S    EENTRO =        -0.00032175
  eigenvalues    EBANDS =       -34.58441396
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88649188 eV

  energy without entropy =      -13.88617013  energy(sigma->0) =      -13.88638463
  exchange ACFDT corr.  =        -0.00306974  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0240


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7860       2 -69.7006       3 -69.7617       4 -69.7089       5 -69.8330
 
 
 
 E-fermi :   3.2675     XC(G=0):  -5.1138     alpha+bet : -8.9779

 Fermi energy:         3.2675414021

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8659      1.00000
      2      -9.9243      1.00000
      3      -8.5588      1.00000
      4      -6.7008      1.00000
      5      -4.2557      1.00000
      6      -1.5056      1.00000
      7       1.7472      1.00000
      8       4.6615     -0.00000
      9       5.3552     -0.00000
     10       7.9072     -0.00000
     11       8.0001     -0.00000
     12      11.8852      0.00000
     13      12.2009      0.00000
     14      16.0818      0.00000
     15      16.2462      0.00000
     16      16.5171      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4494      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0246      0.00000
     13      12.3020      0.00000
     14      12.8421      0.00000
     15      13.6167      0.00000
     16      14.2045      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4494      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0245      0.00000
     13      12.3020      0.00000
     14      12.8421      0.00000
     15      13.6193      0.00000
     16      14.3042      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4494      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0245      0.00000
     13      12.3019      0.00000
     14      12.8421      0.00000
     15      13.6177      0.00000
     16      14.5031      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7377      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3951     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7455      0.00000
     14      10.8213      0.00000
     15      12.3211      0.00000
     16      12.6494      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7377      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3950     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7456      0.00000
     14      10.8214      0.00000
     15      12.6030      0.00000
     16      12.7596      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7377      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3951     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7455      0.00000
     14      10.8213      0.00000
     15      12.3042      0.00000
     16      12.6321      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8139      0.00000
     14       9.7181      0.00000
     15       9.9619      0.00000
     16      11.3807      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8138      0.00000
     14       9.7171      0.00000
     15       9.9611      0.00000
     16      10.8689      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8138      0.00000
     14       9.7171      0.00000
     15       9.9611      0.00000
     16      10.8697      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1914     -0.00000
     14       8.6811     -0.00000
     15       9.9768      0.00000
     16      11.1088      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1915     -0.00000
     14       8.6811     -0.00000
     15      10.0522      0.00000
     16      11.0052      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1914     -0.00000
     14       8.6811     -0.00000
     15       9.9674      0.00000
     16      10.9314      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.7801      0.00000
     15       9.9986      0.00000
     16      10.5025      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.7763      0.00000
     15       9.9974      0.00000
     16      10.5063      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.7771      0.00000
     15       9.9894      0.00000
     16      10.5060      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5502     -0.00000
     12      11.0043      0.00000
     13      11.0393      0.00000
     14      11.5520      0.00000
     15      11.7082      0.00000
     16      12.6317      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5502     -0.00000
     12      11.0015      0.00000
     13      11.0412      0.00000
     14      11.5554      0.00000
     15      11.7509      0.00000
     16      12.5998      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5502     -0.00000
     12      11.0018      0.00000
     13      11.0410      0.00000
     14      11.5575      0.00000
     15      11.7345      0.00000
     16      12.6118      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01321
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9723      0.00000
     13       9.1770      0.00000
     14       9.5871      0.00000
     15       9.8208      0.00000
     16      10.2743      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01320
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3042     -0.00000
     11       7.9311     -0.00000
     12       8.9725      0.00000
     13       9.1770      0.00000
     14       9.5888      0.00000
     15       9.8191      0.00000
     16      10.2747      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01320
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9724      0.00000
     13       9.1769      0.00000
     14       9.5873      0.00000
     15       9.8210      0.00000
     16      10.2823      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01320
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3042     -0.00000
     11       7.9311     -0.00000
     12       8.9724      0.00000
     13       9.1769      0.00000
     14       9.5877      0.00000
     15       9.8195      0.00000
     16      10.2720      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01320
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9728      0.00000
     13       9.1771      0.00000
     14       9.5883      0.00000
     15       9.8192      0.00000
     16      10.2923      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01321
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9725      0.00000
     13       9.1769      0.00000
     14       9.5872      0.00000
     15       9.8199      0.00000
     16      10.2731      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74875
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0395     -0.00000
     14       8.5111     -0.00000
     15       9.0407      0.00000
     16       9.6456      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74875
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0394     -0.00000
     14       8.5105     -0.00000
     15       9.0408      0.00000
     16       9.6414      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74870
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5106     -0.00000
     15       9.0415      0.00000
     16       9.6423      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74875
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0394     -0.00000
     14       8.5109     -0.00000
     15       9.0415      0.00000
     16       9.6421      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74870
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5103     -0.00000
     15       9.0407      0.00000
     16       9.6503      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74876
      8       4.2363     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5102     -0.00000
     15       9.0413      0.00000
     16       9.8046      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7275     -0.00000
     14       8.4915     -0.00000
     15       8.9986      0.00000
     16       9.6964      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7271     -0.00000
     14       8.4666     -0.00000
     15       9.2050      0.00000
     16       9.7224      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7312     -0.00000
     14       8.4608     -0.00000
     15       8.9397      0.00000
     16       9.4805      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7288     -0.00000
     14       8.4892     -0.00000
     15       8.9387      0.00000
     16       9.6259      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7271     -0.00000
     14       8.5567     -0.00000
     15       9.1741      0.00000
     16       9.6171      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4785      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7276     -0.00000
     14       8.4612     -0.00000
     15       8.9396      0.00000
     16       9.4219      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5946      1.00000
      9       3.5838     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3966     -0.00000
     14       8.1853     -0.00000
     15       9.0095      0.00000
     16       9.3566      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5946      1.00000
      9       3.5838     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3966     -0.00000
     14       8.1853     -0.00000
     15       9.0046      0.00000
     16       9.2935      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5945      1.00000
      9       3.5837     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3966     -0.00000
     14       8.1853     -0.00000
     15       9.0048      0.00000
     16       9.3020      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3093     -0.00000
     13       7.7838     -0.00000
     14       7.8894     -0.00000
     15       8.0326     -0.00000
     16       9.4729      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3093     -0.00000
     13       7.7838     -0.00000
     14       7.8892     -0.00000
     15       8.0326     -0.00000
     16       9.6186      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3093     -0.00000
     13       7.7838     -0.00000
     14       7.8895     -0.00000
     15       8.0327     -0.00000
     16       9.4927      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1765     -0.00000
     15       8.5873     -0.00000
     16       8.9864      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1735     -0.00000
     15       8.5056     -0.00000
     16       8.8680      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1735     -0.00000
     15       8.4746     -0.00000
     16       8.8244      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5287     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6435     -0.00000
     14       7.1747     -0.00000
     15       8.5208     -0.00000
     16       8.8675      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1739     -0.00000
     15       8.4763     -0.00000
     16       8.9940      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6435     -0.00000
     14       7.1736     -0.00000
     15       8.6729     -0.00000
     16       9.1789      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81824
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9312     -0.00000
     16       8.3272     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81823
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7918     -0.00000
     15       7.9369     -0.00000
     16       8.3683     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81830
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9243     -0.00000
     16       8.4014     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81824
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7918     -0.00000
     15       7.9347     -0.00000
     16       8.3522     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81829
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7918     -0.00000
     15       8.0063     -0.00000
     16       8.2895     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81822
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9321     -0.00000
     16       8.4236     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01865
     10       3.4518     -0.01553
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8715     -0.00000
     16       8.1607     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01865
     10       3.4518     -0.01550
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8972     -0.00000
     16       7.9266     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01865
     10       3.4518     -0.01550
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8988     -0.00000
     16       7.9557     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6002      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3052     -0.00000
     16       7.6353     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6002      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3161     -0.00000
     16       7.6942     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6001      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3052     -0.00000
     16       7.6608     -0.00000
 Fermi energy:         3.2675414021

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8659      1.00000
      2      -9.9243      1.00000
      3      -8.5588      1.00000
      4      -6.7009      1.00000
      5      -4.2557      1.00000
      6      -1.5056      1.00000
      7       1.7471      1.00000
      8       4.6615     -0.00000
      9       5.3552     -0.00000
     10       7.9072     -0.00000
     11       8.0001     -0.00000
     12      11.8852      0.00000
     13      12.2009      0.00000
     14      16.0916      0.00000
     15      16.2049      0.00000
     16      16.5528      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4495      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0245      0.00000
     13      12.3020      0.00000
     14      12.8421      0.00000
     15      13.6169      0.00000
     16      14.3999      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4495      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0245      0.00000
     13      12.3020      0.00000
     14      12.8421      0.00000
     15      13.6161      0.00000
     16      14.3143      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6181      1.00000
      2      -9.6760      1.00000
      3      -8.3092      1.00000
      4      -6.4495      1.00000
      5      -3.9990      1.00000
      6      -1.2547      1.00000
      7       2.0015      1.00000
      8       4.8796     -0.00000
      9       5.5629     -0.00000
     10       8.1068     -0.00000
     11       8.1958     -0.00000
     12      12.0246      0.00000
     13      12.3019      0.00000
     14      12.8421      0.00000
     15      13.6163      0.00000
     16      14.3354      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7376      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3951     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7455      0.00000
     14      10.8213      0.00000
     15      12.3037      0.00000
     16      12.7093      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7376      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3951     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7455      0.00000
     14      10.8213      0.00000
     15      12.3005      0.00000
     16      12.6310      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8748      1.00000
      2      -8.9308      1.00000
      3      -7.5601      1.00000
      4      -5.6957      1.00000
      5      -3.2318      1.00000
      6      -0.5056      1.00000
      7       2.7376      1.00057
      8       5.5050     -0.00000
      9       6.1768     -0.00000
     10       8.3950     -0.00000
     11       8.7424      0.00000
     12       9.2861      0.00000
     13       9.7455      0.00000
     14      10.8213      0.00000
     15      12.3004      0.00000
     16      12.6288      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8138      0.00000
     14       9.7170      0.00000
     15       9.9609      0.00000
     16      10.8737      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8138      0.00000
     14       9.7170      0.00000
     15       9.9611      0.00000
     16      10.8687      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -7.6875      1.00000
      3      -6.3103      1.00000
      4      -4.4409      1.00000
      5      -1.9656      1.00000
      6       0.7173      1.00000
      7       3.7492     -0.00173
      8       5.0360     -0.00000
      9       5.9811     -0.00000
     10       6.7104     -0.00000
     11       7.1852     -0.00000
     12       7.3362     -0.00000
     13       8.8138      0.00000
     14       9.7172      0.00000
     15       9.9611      0.00000
     16      10.8695      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1914     -0.00000
     14       8.6812     -0.00000
     15       9.9675      0.00000
     16      10.9341      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1914     -0.00000
     14       8.6811     -0.00000
     15       9.9683      0.00000
     16      10.9541      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8959      1.00000
      2      -5.9428      1.00000
      3      -4.5588      1.00000
      4      -2.6950      1.00000
      5      -0.2824      1.00000
      6       1.2175      1.00000
      7       2.1119      1.00000
      8       2.8721      1.00866
      9       3.7893     -0.00069
     10       5.4761     -0.00000
     11       5.7056     -0.00000
     12       7.7201     -0.00000
     13       8.1914     -0.00000
     14       8.6812     -0.00000
     15       9.9681      0.00000
     16      10.9532      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.7770      0.00000
     15      10.0033      0.00000
     16      10.5047      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.8055      0.00000
     15      10.0246      0.00000
     16      10.4768      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6534      1.00000
      2      -3.6971      1.00000
      3      -2.3265      1.00000
      4      -1.9202      1.00000
      5      -1.0569      1.00000
      6      -0.5177      1.00000
      7       0.5941      1.00000
      8       2.1843      1.00000
      9       2.5923      1.00001
     10       4.6609     -0.00000
     11       4.8729     -0.00000
     12       7.1628     -0.00000
     13       7.6309     -0.00000
     14       9.7784      0.00000
     15       9.9907      0.00000
     16      10.5038      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5502     -0.00000
     12      11.0018      0.00000
     13      11.0423      0.00000
     14      11.5577      0.00000
     15      11.7494      0.00000
     16      12.5895      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5503     -0.00000
     12      11.0011      0.00000
     13      11.0403      0.00000
     14      11.5582      0.00000
     15      11.7040      0.00000
     16      12.5930      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1226      1.00000
      2      -9.1793      1.00000
      3      -7.8099      1.00000
      4      -5.9469      1.00000
      5      -3.4871      1.00000
      6      -0.7545      1.00000
      7       2.4976      1.00000
      8       5.3051     -0.00000
      9       5.9749     -0.00000
     10       8.4870     -0.00000
     11       8.5503     -0.00000
     12      11.0017      0.00000
     13      11.0405      0.00000
     14      11.5547      0.00000
     15      11.7408      0.00000
     16      12.5819      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3042     -0.00000
     11       7.9311     -0.00000
     12       8.9726      0.00000
     13       9.1772      0.00000
     14       9.5874      0.00000
     15       9.8192      0.00000
     16      10.3569      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9727      0.00000
     13       9.1783      0.00000
     14       9.5881      0.00000
     15       9.8231      0.00000
     16      10.3434      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9724      0.00000
     13       9.1773      0.00000
     14       9.5879      0.00000
     15       9.8199      0.00000
     16      10.2877      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3042     -0.00000
     11       7.9311     -0.00000
     12       8.9724      0.00000
     13       9.1772      0.00000
     14       9.5873      0.00000
     15       9.8199      0.00000
     16      10.2760      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9724      0.00000
     13       9.1769      0.00000
     14       9.5870      0.00000
     15       9.8197      0.00000
     16      10.2708      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1311      1.00000
      2      -8.1851      1.00000
      3      -6.8105      1.00000
      4      -4.9427      1.00000
      5      -2.4698      1.00000
      6       0.2355      1.00000
      7       3.4254      0.01322
      8       5.9991     -0.00000
      9       6.7244     -0.00000
     10       7.3041     -0.00000
     11       7.9311     -0.00000
     12       8.9723      0.00000
     13       9.1769      0.00000
     14       9.5870      0.00000
     15       9.8194      0.00000
     16      10.2737      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74875
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0394     -0.00000
     14       8.5107     -0.00000
     15       9.0406      0.00000
     16       9.6448      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74877
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5107     -0.00000
     15       9.0407      0.00000
     16       9.6872      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74876
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5108     -0.00000
     15       9.0408      0.00000
     16       9.6422      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74874
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5098     -0.00000
     15       9.0440      0.00000
     16       9.7674      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74876
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0393     -0.00000
     14       8.5104     -0.00000
     15       9.0412      0.00000
     16       9.6453      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6416      1.00000
      2      -6.6912      1.00000
      3      -5.3095      1.00000
      4      -3.4405      1.00000
      5      -0.9740      1.00000
      6       1.6254      1.00000
      7       3.2046      0.74878
      8       4.2362     -0.00000
      9       5.1282     -0.00000
     10       5.6210     -0.00000
     11       7.1702     -0.00000
     12       7.5021     -0.00000
     13       8.0394     -0.00000
     14       8.5117     -0.00000
     15       9.0408      0.00000
     16       9.6515      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7270     -0.00000
     14       8.5076     -0.00000
     15       8.9659      0.00000
     16       9.6203      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7278     -0.00000
     14       8.4662     -0.00000
     15       8.9646      0.00000
     16       9.7028      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2279      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7270     -0.00000
     14       8.4625     -0.00000
     15       8.9485      0.00000
     16       9.4398      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7271     -0.00000
     14       8.4605     -0.00000
     15       8.9953      0.00000
     16       9.4025      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2279      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7301     -0.00000
     14       8.4605     -0.00000
     15       8.9527      0.00000
     16       9.5650      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6501      1.00000
      2      -4.6946      1.00000
      3      -3.3107      1.00000
      4      -1.4786      1.00000
      5      -0.2278      1.00000
      6       0.4802      1.00000
      7       1.3391      1.00000
      8       2.4268      1.00000
      9       3.7916     -0.00066
     10       4.1063     -0.00000
     11       6.2500     -0.00000
     12       6.7083     -0.00000
     13       7.7272     -0.00000
     14       8.4621     -0.00000
     15       8.9434      0.00000
     16       9.6926      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5945      1.00000
      9       3.5838     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3966     -0.00000
     14       8.1853     -0.00000
     15       9.0106      0.00000
     16       9.3003      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5945      1.00000
      9       3.5837     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3967     -0.00000
     14       8.1853     -0.00000
     15       9.0043      0.00000
     16       9.2949      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1718      1.00000
      2      -3.1427      1.00000
      3      -2.2146      1.00000
      4      -2.2053      1.00000
      5      -1.0680      1.00000
      6      -0.6750      1.00000
      7       0.8361      1.00000
      8       1.5945      1.00000
      9       3.5838     -0.02383
     10       3.7334     -0.00238
     11       5.8331     -0.00000
     12       6.2184     -0.00000
     13       7.3966     -0.00000
     14       8.1854     -0.00000
     15       9.0043      0.00000
     16       9.2921      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3092     -0.00000
     13       7.7838     -0.00000
     14       7.8893     -0.00000
     15       8.0330     -0.00000
     16       9.8507      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3092     -0.00000
     13       7.7835     -0.00000
     14       7.8893     -0.00000
     15       8.0327     -0.00000
     16       9.7537      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8899      1.00000
      2      -6.9405      1.00000
      3      -5.5598      1.00000
      4      -3.6905      1.00000
      5      -1.2174      1.00000
      6       1.4350      1.00000
      7       4.3265     -0.00000
      8       5.4853     -0.00000
      9       5.8765     -0.00000
     10       6.5076     -0.00000
     11       6.8061     -0.00000
     12       7.3093     -0.00000
     13       7.7836     -0.00000
     14       7.8892     -0.00000
     15       8.0327     -0.00000
     16       9.5242      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1735     -0.00000
     15       8.4740     -0.00000
     16       8.8557      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6435     -0.00000
     14       7.1736     -0.00000
     15       8.6004     -0.00000
     16       9.1854      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6436     -0.00000
     14       7.1736     -0.00000
     15       8.5971     -0.00000
     16       9.0293      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6437     -0.00000
     14       7.1735     -0.00000
     15       8.4718     -0.00000
     16       8.8381      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6437     -0.00000
     14       7.1739     -0.00000
     15       8.4765     -0.00000
     16       9.0377      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1476      1.00000
      2      -5.1942      1.00000
      3      -3.8085      1.00000
      4      -1.9537      1.00000
      5       0.4321      1.00000
      6       1.9439      1.00000
      7       2.7899      1.00191
      8       3.5286     -0.03450
      9       4.4518     -0.00000
     10       4.6326     -0.00000
     11       5.5081     -0.00000
     12       6.0776     -0.00000
     13       6.6435     -0.00000
     14       7.1736     -0.00000
     15       8.8171      0.00000
     16       9.2265      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81828
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7918     -0.00000
     15       7.9298     -0.00000
     16       8.2962     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81833
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9244     -0.00000
     16       8.3838     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81826
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9232     -0.00000
     16       8.3211     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00281
      9       3.1842      0.81825
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9262     -0.00000
     16       8.4328     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81823
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7919     -0.00000
     15       7.9267     -0.00000
     16       8.3656     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9010      1.00000
      2      -2.9494      1.00000
      3      -1.5842      1.00000
      4      -1.1687      1.00000
      5      -0.3246      1.00000
      6       0.1997      1.00000
      7       1.3205      1.00000
      8       2.8093      1.00282
      9       3.1842      0.81833
     10       4.1110     -0.00000
     11       4.8323     -0.00000
     12       5.6160     -0.00000
     13       5.8940     -0.00000
     14       6.7918     -0.00000
     15       7.9417     -0.00000
     16       8.3992     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01864
     10       3.4518     -0.01549
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8780     -0.00000
     16       8.0706     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01865
     10       3.4518     -0.01551
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8563     -0.00000
     16       7.9263     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1490      1.00000
      2      -3.1974      1.00000
      3      -1.8203      1.00000
      4      -0.0468      1.00000
      5       1.2417      1.00000
      6       1.2550      1.00000
      7       1.7655      1.00000
      8       2.1899      1.00000
      9       2.9276      1.01865
     10       3.4518     -0.01551
     11       4.2102     -0.00000
     12       5.3040     -0.00000
     13       5.3669     -0.00000
     14       6.0302     -0.00000
     15       7.8847     -0.00000
     16       7.9636     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6001      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3115     -0.00000
     16       7.6731     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6001      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3097     -0.00000
     16       7.6357     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6716      1.00000
      2      -1.6397      1.00000
      3      -0.7449      1.00000
      4      -0.7126      1.00000
      5       0.3825      1.00000
      6       0.7506      1.00000
      7       1.0439      1.00000
      8       1.7895      1.00000
      9       2.3339      1.00000
     10       2.6002      1.00001
     11       3.9183     -0.00002
     12       5.2024     -0.00000
     13       5.4263     -0.00000
     14       5.6118     -0.00000
     15       7.3069     -0.00000
     16       7.6502     -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
  8.063  13.763   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.763  23.488   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.763  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.763  23.488  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.330 -62.132  -0.000  -0.067  -0.000   0.000  -0.025   0.000
-62.132  33.185   0.000   0.027   0.000  -0.000   0.015  -0.000
 -0.000   0.000   2.119  -0.000   0.000  -0.328   0.000   0.000
 -0.067   0.027  -0.000   1.653   0.000   0.000  -0.254  -0.000
 -0.000   0.000   0.000   0.000   2.119   0.000  -0.000  -0.328
  0.000  -0.000  -0.328   0.000   0.000   0.051   0.000  -0.000
 -0.025   0.015   0.000  -0.254  -0.000   0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  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  -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      0.0009: real time      0.0010
    FORHF :  cpu time    195.1040: real time    195.8267
    FORNL :  cpu time      0.0789: real time      0.0792
    FORCOR:  cpu time      1.1861: real time      1.1888
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.110E-04 -.565E-05 0.183E+03   0.502E-13 0.258E-13 -.182E+03   0.131E-04 0.495E-05 -.124E+01
   0.116E-04 0.242E-05 0.914E+02   0.458E-14 0.378E-14 -.915E+02   -.135E-04 -.383E-05 0.357E+00
   0.869E-05 0.727E-05 0.231E+00   -.153E-12 -.814E-13 -.121E+00   -.597E-05 -.725E-05 -.211E+00
   0.193E-04 0.116E-04 -.933E+02   0.143E-12 0.806E-13 0.932E+02   -.135E-04 -.202E-04 0.139E+00
   0.266E-04 0.280E-05 -.181E+03   -.396E-13 -.254E-13 0.180E+03   -.316E-04 0.710E-08 0.922E+00
 -----------------------------------------------------------------------------------------------
   0.561E-04 0.184E-04 0.465E-01   0.439E-14 0.346E-14 0.000E+00   -.514E-04 -.264E-04 -.327E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000001     -0.090169
      0.00000      0.00000      2.33311        -0.000003      0.000000      0.188863
      1.42873      0.82488      4.66622         0.000002      0.000001     -0.098115
      2.85746      1.64976      6.96125         0.000005     -0.000008      0.037281
      0.00000      0.00000      9.35285        -0.000006      0.000005     -0.037859
 -----------------------------------------------------------------------------------
    total drift:                                0.000003     -0.000009      0.013334


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88649188 eV

  energy  without entropy=      -13.88617013  energy(sigma->0) =      -13.88638463
 
 d Force = 0.3041553E-03[-0.111E-02, 0.172E-02]  d Energy = 0.4357173E-03-0.132E-03
 d Force = 0.8348795E-01[ 0.710E-01, 0.960E-01]  d Ewald  = 0.8349426E-01-0.631E-05


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


    POTLOK:  cpu time      1.1888: real time      1.1915


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0750
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0566: real time      0.0568
    POTLOK:  cpu time      1.1881: real time      1.1909
    EDDIAG:  cpu time    255.8645: real time    256.9506
    CHARGE:  cpu time      0.1130: real time      0.1135
 writing wavefunctions
     LOOP+:  cpu time   4032.9895: real time   4048.8758


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


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7670: real time      0.7686
    TRIAL :  cpu time    254.9911: real time    255.9446
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1139: real time      0.1143
    --------------------------------------------
      LOOP:  cpu time    256.2960: real time    257.3175

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1521998E-02  (-0.1207714E-02)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0012035 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -704.53943625
  -exchange      EXHF   =        33.31938424
  -V(xc)+E(xc)   XCENC  =       -83.53713384
  PAW double counting   =    101619.99000725  -101519.03644518
  entropy T*S    EENTRO =        -0.00074036
  eigenvalues    EBANDS =       -35.12108813
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88496229 eV

  energy without entropy =      -13.88422194  energy(sigma->0) =      -13.88471551
  exchange ACFDT corr.  =        -0.00326545  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7655: real time      0.7669
    TRIAL :  cpu time    255.0669: real time    256.0292
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1138: real time      0.1142
    --------------------------------------------
      LOOP:  cpu time    256.3690: real time    257.3345

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7073888E-03  (-0.8562695E-03)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0011997 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.00330506
  -exchange      EXHF   =        33.32147147
  -V(xc)+E(xc)   XCENC  =       -83.53635137
  PAW double counting   =    101625.63990445  -101524.68640426
  entropy T*S    EENTRO =        -0.00071508
  eigenvalues    EBANDS =       -34.66081132
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88566968 eV

  energy without entropy =      -13.88495460  energy(sigma->0) =      -13.88543132
  exchange ACFDT corr.  =        -0.00323115  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7661: real time      0.7675
    TRIAL :  cpu time    254.5405: real time    255.5070
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1135: real time      0.1139
    --------------------------------------------
      LOOP:  cpu time    255.8435: real time    256.8132

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5342291E-03  (-0.3219263E-03)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0011945 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.24271718
  -exchange      EXHF   =        33.32287370
  -V(xc)+E(xc)   XCENC  =       -83.53579769
  PAW double counting   =    101632.26134933  -101531.30787923
  entropy T*S    EENTRO =        -0.00076367
  eigenvalues    EBANDS =       -34.42388454
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88620391 eV

  energy without entropy =      -13.88544024  energy(sigma->0) =      -13.88594935
  exchange ACFDT corr.  =        -0.00321790  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7646: real time      0.7660
    TRIAL :  cpu time    252.6549: real time    253.6182
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1139: real time      0.1143
    --------------------------------------------
      LOOP:  cpu time    253.9558: real time    254.9223

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2186557E-03  (-0.1634239E-03)
 number of electron      15.0000000 magnetization      -0.0000020
 augmentation part       -0.0011880 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.15906751
  -exchange      EXHF   =        33.32291396
  -V(xc)+E(xc)   XCENC  =       -83.53573854
  PAW double counting   =    101637.33487988  -101536.38145188
  entropy T*S    EENTRO =        -0.00080735
  eigenvalues    EBANDS =       -34.50776159
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88642257 eV

  energy without entropy =      -13.88561522  energy(sigma->0) =      -13.88615345
  exchange ACFDT corr.  =        -0.00323833  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4193: real time      0.4207
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    252.7297: real time    253.6877
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1137: real time      0.1141
    --------------------------------------------
      LOOP:  cpu time    254.0367: real time    254.9979

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8438988E-04  (-0.1151025E-03)
 number of electron      15.0000000 magnetization      -0.0000017
 augmentation part       -0.0011806 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.05292807
  -exchange      EXHF   =        33.32249964
  -V(xc)+E(xc)   XCENC  =       -83.53585504
  PAW double counting   =    101642.60185333  -101541.64835172
  entropy T*S    EENTRO =        -0.00080893
  eigenvalues    EBANDS =       -34.61348453
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88650696 eV

  energy without entropy =      -13.88569803  energy(sigma->0) =      -13.88623731
  exchange ACFDT corr.  =        -0.00326027  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7686: real time      0.7700
    TRIAL :  cpu time    252.3588: real time    253.3172
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1140: real time      0.1144
    --------------------------------------------
      LOOP:  cpu time    253.6650: real time    254.6266

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7564660E-04  (-0.5106704E-04)
 number of electron      15.0000000 magnetization      -0.0000015
 augmentation part       -0.0011735 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.06817453
  -exchange      EXHF   =        33.32224675
  -V(xc)+E(xc)   XCENC  =       -83.53593271
  PAW double counting   =    101649.91927477  -101548.96571479
  entropy T*S    EENTRO =        -0.00080325
  eigenvalues    EBANDS =       -34.59803994
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88658260 eV

  energy without entropy =      -13.88577936  energy(sigma->0) =      -13.88631485
  exchange ACFDT corr.  =        -0.00326623  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7665: real time      0.7679
    TRIAL :  cpu time    252.3889: real time    253.3510
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    253.6921: real time    254.6575

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3568719E-04  (-0.2772294E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0011678 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.10296719
  -exchange      EXHF   =        33.32204278
  -V(xc)+E(xc)   XCENC  =       -83.53599840
  PAW double counting   =    101657.56739490  -101556.61378558
  entropy T*S    EENTRO =        -0.00081242
  eigenvalues    EBANDS =       -34.56306834
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88661829 eV

  energy without entropy =      -13.88580587  energy(sigma->0) =      -13.88634749
  exchange ACFDT corr.  =        -0.00326898  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4216
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    252.1075: real time    253.0533
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    253.4134: real time    254.3624

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1674986E-04  (-0.1871512E-04)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0011636 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.08019241
  -exchange      EXHF   =        33.32179738
  -V(xc)+E(xc)   XCENC  =       -83.53608276
  PAW double counting   =    101664.08033610  -101563.12672496
  entropy T*S    EENTRO =        -0.00082585
  eigenvalues    EBANDS =       -34.58552276
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88663504 eV

  energy without entropy =      -13.88580919  energy(sigma->0) =      -13.88635976
  exchange ACFDT corr.  =        -0.00327644  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4194: real time      0.4208
    SETDIJ:  cpu time      0.7680: real time      0.7693
    TRIAL :  cpu time    253.1541: real time    254.1286
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1135: real time      0.1139
    --------------------------------------------
      LOOP:  cpu time    254.4575: real time    255.4352

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1228093E-04  (-0.8271794E-05)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0011604 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.04073020
  -exchange      EXHF   =        33.32163922
  -V(xc)+E(xc)   XCENC  =       -83.53614122
  PAW double counting   =    101669.60126671  -101568.64767545
  entropy T*S    EENTRO =        -0.00083257
  eigenvalues    EBANDS =       -34.62474731
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88664732 eV

  energy without entropy =      -13.88581476  energy(sigma->0) =      -13.88636980
  exchange ACFDT corr.  =        -0.00328408  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7728: real time      0.7742
    TRIAL :  cpu time    251.8737: real time    252.8298
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    252.3314: real time    253.2862
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    505.5137: real time    507.4278

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6652455E-05  (-0.6256134E-05)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0011577 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45918253
  -Hartree energ DENC   =      -705.03454934
  -exchange      EXHF   =        33.32176286
  -V(xc)+E(xc)   XCENC  =       -83.53613954
  PAW double counting   =    101674.40939968  -101573.45581062
  entropy T*S    EENTRO =        -0.00083293
  eigenvalues    EBANDS =       -34.63094110
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88665397 eV

  energy without entropy =      -13.88582104  energy(sigma->0) =      -13.88637633
  exchange ACFDT corr.  =        -0.00328816  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9233


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7896       2 -69.7040       3 -69.7687       4 -69.7112       5 -69.8276
 
 
 
 E-fermi :   3.2699     XC(G=0):  -5.1132     alpha+bet : -8.9779

 Fermi energy:         3.2699310767

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8649      1.00000
      2      -9.9360      1.00000
      3      -8.5673      1.00000
      4      -6.6951      1.00000
      5      -4.2569      1.00000
      6      -1.5061      1.00000
      7       1.7435      1.00000
      8       4.6682     -0.00000
      9       5.3581     -0.00000
     10       7.9100     -0.00000
     11       8.0019     -0.00000
     12      11.8874      0.00000
     13      12.2019      0.00000
     14      16.0827      0.00000
     15      16.2073      0.00000
     16      16.4168      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6075      0.00000
     16      14.2032      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6087      0.00000
     16      14.2814      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6082      0.00000
     16      14.4838      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.3066      0.00000
     16      12.6459      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.5839      0.00000
     16      12.6800      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.2996      0.00000
     16      12.6329      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1840     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7195      0.00000
     15       9.9630      0.00000
     16      11.3576      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1840     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7189      0.00000
     15       9.9625      0.00000
     16      10.8677      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1840     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7189      0.00000
     15       9.9625      0.00000
     16      10.8682      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1965     -0.00000
     14       8.6839     -0.00000
     15       9.9733      0.00000
     16      11.0829      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1966     -0.00000
     14       8.6839     -0.00000
     15      10.0087      0.00000
     16      10.9944      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1965     -0.00000
     14       8.6839     -0.00000
     15       9.9671      0.00000
     16      10.9275      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7800      0.00000
     15       9.9973      0.00000
     16      10.5050      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7776      0.00000
     15       9.9966      0.00000
     16      10.5091      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7781      0.00000
     15       9.9901      0.00000
     16      10.5088      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0057      0.00000
     13      11.0396      0.00000
     14      11.5411      0.00000
     15      11.6940      0.00000
     16      12.6259      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0045      0.00000
     13      11.0406      0.00000
     14      11.5445      0.00000
     15      11.7179      0.00000
     16      12.5894      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0047      0.00000
     13      11.0404      0.00000
     14      11.5462      0.00000
     15      11.7119      0.00000
     16      12.6047      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1702      0.00000
     14       9.5891      0.00000
     15       9.8189      0.00000
     16      10.2666      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9733      0.00000
     13       9.1702      0.00000
     14       9.5900      0.00000
     15       9.8181      0.00000
     16      10.2672      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9733      0.00000
     13       9.1702      0.00000
     14       9.5893      0.00000
     15       9.8194      0.00000
     16      10.2731      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1701      0.00000
     14       9.5894      0.00000
     15       9.8184      0.00000
     16      10.2653      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9734      0.00000
     13       9.1702      0.00000
     14       9.5898      0.00000
     15       9.8181      0.00000
     16      10.2786      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1701      0.00000
     14       9.5892      0.00000
     15       9.8186      0.00000
     16      10.2662      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0426     -0.00000
     14       8.5123     -0.00000
     15       9.0336      0.00000
     16       9.6378      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74573
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0426     -0.00000
     14       8.5121     -0.00000
     15       9.0336      0.00000
     16       9.6357      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74573
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5121     -0.00000
     15       9.0339      0.00000
     16       9.6361      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0426     -0.00000
     14       8.5122     -0.00000
     15       9.0338      0.00000
     16       9.6360      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74573
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5121     -0.00000
     15       9.0335      0.00000
     16       9.6412      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74573
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5120     -0.00000
     15       9.0339      0.00000
     16       9.7406      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7262     -0.00000
     14       8.4783     -0.00000
     15       8.9685      0.00000
     16       9.6923      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4611     -0.00000
     15       9.1697      0.00000
     16       9.7229      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7273     -0.00000
     14       8.4575     -0.00000
     15       8.9309      0.00000
     16       9.4514      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7267     -0.00000
     14       8.4711     -0.00000
     15       8.9308      0.00000
     16       9.6157      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4978     -0.00000
     15       9.0449      0.00000
     16       9.5950      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7915     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7263     -0.00000
     14       8.4577     -0.00000
     15       8.9308      0.00000
     16       9.4136      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3976     -0.00000
     14       8.1785     -0.00000
     15       9.0009      0.00000
     16       9.3348      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3977     -0.00000
     14       8.1785     -0.00000
     15       8.9974      0.00000
     16       9.2883      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3976     -0.00000
     14       8.1784     -0.00000
     15       8.9977      0.00000
     16       9.2959      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7816     -0.00000
     14       7.8912     -0.00000
     15       8.0266     -0.00000
     16       9.4672      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7816     -0.00000
     14       7.8912     -0.00000
     15       8.0266     -0.00000
     16       9.5813      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7816     -0.00000
     14       7.8913     -0.00000
     15       8.0266     -0.00000
     16       9.4836      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1703     -0.00000
     15       8.5365     -0.00000
     16       8.9249      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1692     -0.00000
     15       8.4858     -0.00000
     16       8.8560      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1692     -0.00000
     15       8.4720     -0.00000
     16       8.8260      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6385     -0.00000
     14       7.1697     -0.00000
     15       8.5058     -0.00000
     16       8.8573      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1693     -0.00000
     15       8.4745     -0.00000
     16       8.9303      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6385     -0.00000
     14       7.1693     -0.00000
     15       8.6511     -0.00000
     16       9.1659      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81394
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9287     -0.00000
     16       8.3292     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81394
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9306     -0.00000
     16       8.3609     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81392
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9229     -0.00000
     16       8.3925     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81394
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9289     -0.00000
     16       8.3476     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9646     -0.00000
     16       8.2918     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9280     -0.00000
     16       8.4156     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00546
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8676     -0.00000
     16       8.1322     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00547
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8862     -0.00000
     16       7.9196     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00548
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8923     -0.00000
     16       7.9353     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6700      1.00000
      2      -1.6382      1.00000
      3      -0.7544      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3048     -0.00000
     16       7.6331     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6699      1.00000
      2      -1.6382      1.00000
      3      -0.7544      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3123     -0.00000
     16       7.6930     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6699      1.00000
      2      -1.6382      1.00000
      3      -0.7544      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3046     -0.00000
     16       7.6603     -0.00000
 Fermi energy:         3.2699310767

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8649      1.00000
      2      -9.9360      1.00000
      3      -8.5673      1.00000
      4      -6.6951      1.00000
      5      -4.2569      1.00000
      6      -1.5061      1.00000
      7       1.7435      1.00000
      8       4.6682     -0.00000
      9       5.3581     -0.00000
     10       7.9100     -0.00000
     11       8.0019     -0.00000
     12      11.8874      0.00000
     13      12.2019      0.00000
     14      16.0886      0.00000
     15      16.1790      0.00000
     16      16.4709      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6080      0.00000
     16      14.3784      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6073      0.00000
     16      14.2783      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6172      1.00000
      2      -9.6877      1.00000
      3      -8.3177      1.00000
      4      -6.4436      1.00000
      5      -4.0002      1.00000
      6      -1.2552      1.00000
      7       1.9979      1.00000
      8       4.8862     -0.00000
      9       5.5657     -0.00000
     10       8.1096     -0.00000
     11       8.1976     -0.00000
     12      12.0262      0.00000
     13      12.3037      0.00000
     14      12.8415      0.00000
     15      13.6076      0.00000
     16      14.3061      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.3011      0.00000
     16      12.6977      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.2965      0.00000
     16      12.6323      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8738      1.00000
      2      -8.9425      1.00000
      3      -7.5686      1.00000
      4      -5.6898      1.00000
      5      -3.2329      1.00000
      6      -0.5060      1.00000
      7       2.7343      1.00052
      8       5.5111     -0.00000
      9       6.1797     -0.00000
     10       8.3970     -0.00000
     11       8.7449      0.00000
     12       9.2849      0.00000
     13       9.7382      0.00000
     14      10.8125      0.00000
     15      12.2974      0.00000
     16      12.6305      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7189      0.00000
     15       9.9624      0.00000
     16      10.8706      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7189      0.00000
     15       9.9625      0.00000
     16      10.8677      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6339      1.00000
      2      -7.6992      1.00000
      3      -6.3190      1.00000
      4      -4.4350      1.00000
      5      -1.9667      1.00000
      6       0.7170      1.00000
      7       3.7472     -0.00184
      8       5.0360     -0.00000
      9       5.9698     -0.00000
     10       6.7156     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8194      0.00000
     14       9.7189      0.00000
     15       9.9625      0.00000
     16      10.8681      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1965     -0.00000
     14       8.6839     -0.00000
     15       9.9671      0.00000
     16      10.9282      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1965     -0.00000
     14       8.6838     -0.00000
     15       9.9675      0.00000
     16      10.9485      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8946      1.00000
      2      -5.9547      1.00000
      3      -4.5677      1.00000
      4      -2.6890      1.00000
      5      -0.2834      1.00000
      6       1.2183      1.00000
      7       2.1055      1.00000
      8       2.8674      1.00782
      9       3.7807     -0.00087
     10       5.4803     -0.00000
     11       5.7045     -0.00000
     12       7.7200     -0.00000
     13       8.1965     -0.00000
     14       8.6839     -0.00000
     15       9.9675      0.00000
     16      10.9515      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7779      0.00000
     15      10.0003      0.00000
     16      10.5065      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7953      0.00000
     15      10.0204      0.00000
     16      10.4752      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6520      1.00000
      2      -3.7091      1.00000
      3      -2.3358      1.00000
      4      -1.9186      1.00000
      5      -1.0662      1.00000
      6      -0.5174      1.00000
      7       0.5886      1.00000
      8       2.1855      1.00000
      9       2.5960      1.00001
     10       4.6584     -0.00000
     11       4.8746     -0.00000
     12       7.1630     -0.00000
     13       7.6279     -0.00000
     14       9.7790      0.00000
     15       9.9915      0.00000
     16      10.5065      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0047      0.00000
     13      11.0412      0.00000
     14      11.5463      0.00000
     15      11.7172      0.00000
     16      12.5814      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0044      0.00000
     13      11.0402      0.00000
     14      11.5461      0.00000
     15      11.6914      0.00000
     16      12.5872      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1216      1.00000
      2      -9.1910      1.00000
      3      -7.8184      1.00000
      4      -5.9410      1.00000
      5      -3.4882      1.00000
      6      -0.7549      1.00000
      7       2.4942      1.00000
      8       5.3114     -0.00000
      9       5.9778     -0.00000
     10       8.4896     -0.00000
     11       8.5521     -0.00000
     12      11.0045      0.00000
     13      11.0402      0.00000
     14      11.5443      0.00000
     15      11.7101      0.00000
     16      12.5683      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9733      0.00000
     13       9.1702      0.00000
     14       9.5893      0.00000
     15       9.8181      0.00000
     16      10.3260      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9734      0.00000
     13       9.1710      0.00000
     14       9.5895      0.00000
     15       9.8205      0.00000
     16      10.3174      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9733      0.00000
     13       9.1703      0.00000
     14       9.5895      0.00000
     15       9.8184      0.00000
     16      10.2757      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1703      0.00000
     14       9.5892      0.00000
     15       9.8184      0.00000
     16      10.2689      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1701      0.00000
     14       9.5891      0.00000
     15       9.8185      0.00000
     16      10.2641      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1300      1.00000
      2      -8.1968      1.00000
      3      -6.8191      1.00000
      4      -4.9367      1.00000
      5      -2.4708      1.00000
      6       0.2352      1.00000
      7       3.4224      0.01836
      8       6.0033     -0.00000
      9       6.7278     -0.00000
     10       7.3072     -0.00000
     11       7.9197     -0.00000
     12       8.9732      0.00000
     13       9.1701      0.00000
     14       9.5891      0.00000
     15       9.8183      0.00000
     16      10.2669      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0426     -0.00000
     14       8.5121     -0.00000
     15       9.0335      0.00000
     16       9.6372      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5122     -0.00000
     15       9.0335      0.00000
     16       9.6626      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74575
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5121     -0.00000
     15       9.0335      0.00000
     16       9.6360      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5118     -0.00000
     15       9.0348      0.00000
     16       9.6616      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74575
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5120     -0.00000
     15       9.0336      0.00000
     16       9.6375      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6405      1.00000
      2      -6.7030      1.00000
      3      -5.3183      1.00000
      4      -3.4345      1.00000
      5      -0.9750      1.00000
      6       1.6251      1.00000
      7       3.2062      0.74574
      8       4.2262     -0.00000
      9       5.1229     -0.00000
     10       5.6132     -0.00000
     11       7.1766     -0.00000
     12       7.5056     -0.00000
     13       8.0425     -0.00000
     14       8.5126     -0.00000
     15       9.0335      0.00000
     16       9.6420      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4786     -0.00000
     15       8.9414      0.00000
     16       9.5761      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7263     -0.00000
     14       8.4617     -0.00000
     15       8.9517      0.00000
     16       9.7012      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4581     -0.00000
     15       8.9337      0.00000
     16       9.4249      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4574     -0.00000
     15       8.9415      0.00000
     16       9.4061      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7271     -0.00000
     14       8.4574     -0.00000
     15       8.9362      0.00000
     16       9.5497      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6487      1.00000
      2      -4.7066      1.00000
      3      -3.3198      1.00000
      4      -1.4729      1.00000
      5      -0.2255      1.00000
      6       0.4711      1.00000
      7       1.3340      1.00000
      8       2.4192      1.00000
      9       3.7914     -0.00069
     10       4.1118     -0.00000
     11       6.2501     -0.00000
     12       6.7056     -0.00000
     13       7.7261     -0.00000
     14       8.4583     -0.00000
     15       8.9341      0.00000
     16       9.6883      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3976     -0.00000
     14       8.1785     -0.00000
     15       9.0007      0.00000
     16       9.2934      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3976     -0.00000
     14       8.1784     -0.00000
     15       8.9974      0.00000
     16       9.2897      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1703      1.00000
      2      -3.1410      1.00000
      3      -2.2284      1.00000
      4      -2.2154      1.00000
      5      -1.0788      1.00000
      6      -0.6825      1.00000
      7       0.8421      1.00000
      8       1.6004      1.00000
      9       3.5841     -0.02420
     10       3.7309     -0.00255
     11       5.8339     -0.00000
     12       6.2175     -0.00000
     13       7.3977     -0.00000
     14       8.1784     -0.00000
     15       8.9973      0.00000
     16       9.2871      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7816     -0.00000
     14       7.8912     -0.00000
     15       8.0268     -0.00000
     16       9.8027      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7815     -0.00000
     14       7.8912     -0.00000
     15       8.0266     -0.00000
     16       9.7353      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8888      1.00000
      2      -6.9523      1.00000
      3      -5.5686      1.00000
      4      -3.6845      1.00000
      5      -1.2183      1.00000
      6       1.4348      1.00000
      7       4.3250     -0.00000
      8       5.4865     -0.00000
      9       5.8748     -0.00000
     10       6.4982     -0.00000
     11       6.7943     -0.00000
     12       7.3086     -0.00000
     13       7.7815     -0.00000
     14       7.8912     -0.00000
     15       8.0266     -0.00000
     16       9.5100      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1692     -0.00000
     15       8.4713     -0.00000
     16       8.8455      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6385     -0.00000
     14       7.1693     -0.00000
     15       8.5768     -0.00000
     16       9.1653      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1693     -0.00000
     15       8.5344     -0.00000
     16       8.9706      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1692     -0.00000
     15       8.4701     -0.00000
     16       8.8357      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6386     -0.00000
     14       7.1694     -0.00000
     15       8.4769     -0.00000
     16       9.0226      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1463      1.00000
      2      -5.2061      1.00000
      3      -3.8175      1.00000
      4      -1.9477      1.00000
      5       0.4310      1.00000
      6       1.9446      1.00000
      7       2.7840      1.00163
      8       3.5235     -0.03511
      9       4.4437     -0.00000
     10       4.6330     -0.00000
     11       5.5000     -0.00000
     12       6.0787     -0.00000
     13       6.6385     -0.00000
     14       7.1693     -0.00000
     15       8.8062      0.00000
     16       9.1906      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9255     -0.00000
     16       8.2961     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9225     -0.00000
     16       8.3827     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9217     -0.00000
     16       8.3233     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9239     -0.00000
     16       8.4236     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81394
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9241     -0.00000
     16       8.3581     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8996      1.00000
      2      -2.9615      1.00000
      3      -1.5936      1.00000
      4      -1.1673      1.00000
      5      -0.3336      1.00000
      6       0.1996      1.00000
      7       1.3150      1.00000
      8       2.8098      1.00275
      9       3.1873      0.81393
     10       4.1128     -0.00000
     11       4.8242     -0.00000
     12       5.6166     -0.00000
     13       5.8888     -0.00000
     14       6.7850     -0.00000
     15       7.9365     -0.00000
     16       8.3960     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00548
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8772     -0.00000
     16       8.0261     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00547
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8537     -0.00000
     16       7.9230     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1476      1.00000
      2      -3.2095      1.00000
      3      -1.8298      1.00000
      4      -0.0417      1.00000
      5       1.2453      1.00000
      6       1.2561      1.00000
      7       1.7548      1.00000
      8       2.1806      1.00000
      9       2.9204      1.01670
     10       3.4417     -0.00547
     11       4.2052     -0.00000
     12       5.3041     -0.00000
     13       5.3722     -0.00000
     14       6.0358     -0.00000
     15       7.8801     -0.00000
     16       7.9438     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6699      1.00000
      2      -1.6382      1.00000
      3      -0.7544      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3083     -0.00000
     16       7.6712     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6700      1.00000
      2      -1.6382      1.00000
      3      -0.7543      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3079     -0.00000
     16       7.6336     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6700      1.00000
      2      -1.6382      1.00000
      3      -0.7543      1.00000
      4      -0.7269      1.00000
      5       0.3711      1.00000
      6       0.7433      1.00000
      7       1.0449      1.00000
      8       1.7820      1.00000
      9       2.3350      1.00000
     10       2.5991      1.00001
     11       3.9174     -0.00002
     12       5.2051     -0.00000
     13       5.4230     -0.00000
     14       5.6160     -0.00000
     15       7.3054     -0.00000
     16       7.6456     -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
  8.063  13.763  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.763  23.488  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.763   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.763  23.488   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.310 -62.121  -0.000  -0.066  -0.000   0.000  -0.025   0.000
-62.121  33.180   0.000   0.026   0.000  -0.000   0.015  -0.000
 -0.000   0.000   2.118   0.000   0.000  -0.328   0.000  -0.000
 -0.066   0.026   0.000   1.654  -0.000   0.000  -0.254   0.000
 -0.000   0.000   0.000  -0.000   2.118  -0.000   0.000  -0.328
  0.000  -0.000  -0.328   0.000  -0.000   0.051  -0.000   0.000
 -0.025   0.015   0.000  -0.254   0.000  -0.000   0.039  -0.000
  0.000  -0.000  -0.000   0.000  -0.328   0.000  -0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    193.0797: real time    193.7846
    FORNL :  cpu time      0.0788: real time      0.0790
    FORCOR:  cpu time      1.1866: real time      1.1894
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.165E-05 -.484E-05 0.183E+03   0.506E-13 0.260E-13 -.182E+03   0.159E-05 0.479E-05 -.124E+01
   -.687E-05 -.661E-05 0.913E+02   -.843E-15 -.442E-15 -.915E+02   0.904E-05 0.949E-05 0.353E+00
   -.291E-05 -.111E-04 0.187E+00   -.151E-12 -.799E-13 -.973E-01   -.140E-06 0.122E-04 -.168E+00
   -.113E-04 -.106E-04 -.929E+02   0.149E-12 0.816E-13 0.928E+02   0.214E-04 0.142E-04 0.356E-01
   0.379E-05 -.208E-05 -.182E+03   -.439E-13 -.237E-13 0.181E+03   -.995E-05 0.321E-05 0.988E+00
 -----------------------------------------------------------------------------------------------
   -.195E-04 -.370E-04 0.428E-01   0.439E-14 0.346E-14 0.284E-13   0.219E-04 0.439E-04 -.331E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000002     -0.092820
      0.00000      0.00000      2.33311         0.000001      0.000001      0.187857
      1.42873      0.82488      4.66622        -0.000004     -0.000001     -0.076166
      2.85746      1.64976      6.96885         0.000010      0.000002     -0.015521
      0.00000      0.00000      9.34877        -0.000006     -0.000000     -0.003351
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000008      0.008858


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88665397 eV

  energy  without entropy=      -13.88582104  energy(sigma->0) =      -13.88637633
 
 d Force = 0.1669008E-03[-0.104E-03, 0.438E-03]  d Energy = 0.1620918E-03 0.481E-05
 d Force =-0.2980901E-01[-0.317E-01,-0.279E-01]  d Ewald  =-0.2980944E-01 0.428E-06


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


    POTLOK:  cpu time      1.1926: real time      1.1954


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0513
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1914: real time      1.1941
    EDDIAG:  cpu time    254.0632: real time    255.0270
    CHARGE:  cpu time      0.1129: real time      0.1133
 writing wavefunctions
     LOOP+:  cpu time   3248.7908: real time   3261.4996


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


    POTLOK:  cpu time      0.4191: real time      0.4206
    SETDIJ:  cpu time      0.7730: real time      0.7745
    TRIAL :  cpu time    252.7644: real time    253.7470
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    254.0737: real time    255.2202

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2658909E-03  (-0.1031298E-02)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011587 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.18012197
  -exchange      EXHF   =        33.32173373
  -V(xc)+E(xc)   XCENC  =       -83.53613922
  PAW double counting   =    101680.68602469  -101579.73240833
  entropy T*S    EENTRO =        -0.00077399
  eigenvalues    EBANDS =       -34.47926865
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88638143 eV

  energy without entropy =      -13.88560744  energy(sigma->0) =      -13.88612343
  exchange ACFDT corr.  =        -0.00325285  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7707: real time      0.7720
    TRIAL :  cpu time    251.6103: real time    252.5742
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1135: real time      0.1139
    --------------------------------------------
      LOOP:  cpu time    252.9169: real time    253.8840

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9383270E-04  (-0.9373596E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011569 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.05778331
  -exchange      EXHF   =        33.32115364
  -V(xc)+E(xc)   XCENC  =       -83.53633793
  PAW double counting   =    101681.12615327  -101580.17253502
  entropy T*S    EENTRO =        -0.00076813
  eigenvalues    EBANDS =       -34.60070225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88628760 eV

  energy without entropy =      -13.88551946  energy(sigma->0) =      -13.88603155
  exchange ACFDT corr.  =        -0.00326900  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    252.6288: real time    253.5669
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    253.9330: real time    254.8742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3281800E-03  (-0.2094809E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011561 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.02221110
  -exchange      EXHF   =        33.32091267
  -V(xc)+E(xc)   XCENC  =       -83.53644168
  PAW double counting   =    101683.64229835  -101582.68867455
  entropy T*S    EENTRO =        -0.00075850
  eigenvalues    EBANDS =       -34.63626931
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88661578 eV

  energy without entropy =      -13.88585727  energy(sigma->0) =      -13.88636294
  exchange ACFDT corr.  =        -0.00326641  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    252.6965: real time    253.6569
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    254.0035: real time    254.9672

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1590099E-04  (-0.1340786E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011555 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.04274861
  -exchange      EXHF   =        33.32091302
  -V(xc)+E(xc)   XCENC  =       -83.53645438
  PAW double counting   =    101686.19526959  -101585.24165011
  entropy T*S    EENTRO =        -0.00075608
  eigenvalues    EBANDS =       -34.61574067
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88663168 eV

  energy without entropy =      -13.88587560  energy(sigma->0) =      -13.88637965
  exchange ACFDT corr.  =        -0.00326253  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7725: real time      0.7738
    TRIAL :  cpu time    252.3018: real time    253.2676
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    253.6105: real time    254.5794

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1724523E-04  (-0.1312926E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011549 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.05871207
  -exchange      EXHF   =        33.32098225
  -V(xc)+E(xc)   XCENC  =       -83.53643683
  PAW double counting   =    101688.64751126  -101587.69390842
  entropy T*S    EENTRO =        -0.00075166
  eigenvalues    EBANDS =       -34.59983252
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88661443 eV

  energy without entropy =      -13.88586277  energy(sigma->0) =      -13.88636388
  exchange ACFDT corr.  =        -0.00326133  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7723: real time      0.7737
    TRIAL :  cpu time    252.2087: real time    253.1894
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1139: real time      0.1143
    --------------------------------------------
      LOOP:  cpu time    253.5171: real time    254.5010

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4505330E-04  (-0.2936699E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0011537 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.06096897
  -exchange      EXHF   =        33.32107623
  -V(xc)+E(xc)   XCENC  =       -83.53641162
  PAW double counting   =    101691.57925246  -101590.62567062
  entropy T*S    EENTRO =        -0.00075329
  eigenvalues    EBANDS =       -34.59772328
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88665949 eV

  energy without entropy =      -13.88590620  energy(sigma->0) =      -13.88640839
  exchange ACFDT corr.  =        -0.00325819  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7681: real time      0.7694
    TRIAL :  cpu time    252.5293: real time    253.4976
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    253.8335: real time    254.8050

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2212090E-05  (-0.1834340E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0011523 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.05317860
  -exchange      EXHF   =        33.32111542
  -V(xc)+E(xc)   XCENC  =       -83.53639855
  PAW double counting   =    101694.51832676  -101593.56474940
  entropy T*S    EENTRO =        -0.00075384
  eigenvalues    EBANDS =       -34.60556202
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88666170 eV

  energy without entropy =      -13.88590786  energy(sigma->0) =      -13.88641042
  exchange ACFDT corr.  =        -0.00325802  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7721: real time      0.7735
    TRIAL :  cpu time    251.8892: real time    252.9287
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1135: real time      0.1140
    --------------------------------------------
      LOOP:  cpu time    253.1983: real time    254.2410

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2630126E-05  (-0.1847775E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0011508 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.05479119
  -exchange      EXHF   =        33.32114724
  -V(xc)+E(xc)   XCENC  =       -83.53638474
  PAW double counting   =    101697.46596477  -101596.51238378
  entropy T*S    EENTRO =        -0.00074948
  eigenvalues    EBANDS =       -34.60399551
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88665907 eV

  energy without entropy =      -13.88590959  energy(sigma->0) =      -13.88640924
  exchange ACFDT corr.  =        -0.00325788  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4215
    SETDIJ:  cpu time      0.7690: real time      0.7708
    TRIAL :  cpu time    251.9023: real time    252.8645
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    252.9735: real time    253.9270
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    506.1801: real time    508.0997

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6275651E-05  (-0.4966131E-06)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0011493 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.45315374
  -Hartree energ DENC   =      -705.06493977
  -exchange      EXHF   =        33.32117705
  -V(xc)+E(xc)   XCENC  =       -83.53637051
  PAW double counting   =    101700.37308156  -101599.41950306
  entropy T*S    EENTRO =        -0.00074843
  eigenvalues    EBANDS =       -34.59390859
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88666534 eV

  energy without entropy =      -13.88591691  energy(sigma->0) =      -13.88641587
  exchange ACFDT corr.  =        -0.00325570  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9354


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7855       2 -69.6974       3 -69.7645       4 -69.7097       5 -69.8320
 
 
 
 E-fermi :   3.2693     XC(G=0):  -5.1132     alpha+bet : -8.9779

 Fermi energy:         3.2693377658

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8622      1.00000
      2      -9.9314      1.00000
      3      -8.5644      1.00000
      4      -6.6948      1.00000
      5      -4.2555      1.00000
      6      -1.5049      1.00000
      7       1.7450      1.00000
      8       4.6667     -0.00000
      9       5.3555     -0.00000
     10       7.9083     -0.00000
     11       8.0011     -0.00000
     12      11.8867      0.00000
     13      12.2013      0.00000
     14      16.0838      0.00000
     15      16.1858      0.00000
     16      16.3454      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6113      0.00000
     16      14.2044      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6119      0.00000
     16      14.2692      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6119      0.00000
     16      14.4779      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7415      0.00000
     14      10.8154      0.00000
     15      12.3005      0.00000
     16      12.6409      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7415      0.00000
     14      10.8154      0.00000
     15      12.5341      0.00000
     16      12.6690      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7414      0.00000
     14      10.8154      0.00000
     15      12.2958      0.00000
     16      12.6316      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8198      0.00000
     14       9.7180      0.00000
     15       9.9620      0.00000
     16      11.3348      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8198      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8691      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3334     -0.00000
     13       8.8198      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8694      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9723      0.00000
     16      11.0623      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9896      0.00000
     16      10.9852      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9682      0.00000
     16      10.9236      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7791      0.00000
     15       9.9954      0.00000
     16      10.5022      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7777      0.00000
     15       9.9954      0.00000
     16      10.5065      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7781      0.00000
     15       9.9898      0.00000
     16      10.5063      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0073      0.00000
     13      11.0421      0.00000
     14      11.5443      0.00000
     15      11.6966      0.00000
     16      12.6214      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0067      0.00000
     13      11.0427      0.00000
     14      11.5466      0.00000
     15      11.7071      0.00000
     16      12.5864      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0068      0.00000
     13      11.0426      0.00000
     14      11.5478      0.00000
     15      11.7098      0.00000
     16      12.6009      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5884      0.00000
     15       9.8204      0.00000
     16      10.2689      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5889      0.00000
     15       9.8201      0.00000
     16      10.2694      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5885      0.00000
     15       9.8208      0.00000
     16      10.2732      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5885      0.00000
     15       9.8202      0.00000
     16      10.2680      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9741      0.00000
     13       9.1720      0.00000
     14       9.5888      0.00000
     15       9.8201      0.00000
     16      10.2773      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5884      0.00000
     15       9.8204      0.00000
     16      10.2686      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1249     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5134     -0.00000
     15       9.0369      0.00000
     16       9.6390      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74639
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5134     -0.00000
     15       9.0370      0.00000
     16       9.6378      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0371      0.00000
     16       9.6381      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1249     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5134     -0.00000
     15       9.0370      0.00000
     16       9.6380      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0369      0.00000
     16       9.6413      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74639
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0371      0.00000
     16       9.6948      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4721     -0.00000
     15       8.9550      0.00000
     16       9.6839      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4607     -0.00000
     15       9.1263      0.00000
     16       9.7181      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7290     -0.00000
     14       8.4592     -0.00000
     15       8.9342      0.00000
     16       9.4303      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7288     -0.00000
     14       8.4650     -0.00000
     15       8.9342      0.00000
     16       9.5995      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4689     -0.00000
     15       8.9859      0.00000
     16       9.5491      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7286     -0.00000
     14       8.4592     -0.00000
     15       8.9341      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00252
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1811     -0.00000
     15       9.0021      0.00000
     16       9.3211      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00253
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1811     -0.00000
     15       9.0003      0.00000
     16       9.2892      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00253
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1810     -0.00000
     15       9.0004      0.00000
     16       9.2952      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7824     -0.00000
     14       7.8894     -0.00000
     15       8.0289     -0.00000
     16       9.4588      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7824     -0.00000
     14       7.8894     -0.00000
     15       8.0289     -0.00000
     16       9.5594      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7824     -0.00000
     14       7.8894     -0.00000
     15       8.0289     -0.00000
     16       9.4701      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1716     -0.00000
     15       8.5066     -0.00000
     16       8.8928      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.4767     -0.00000
     16       8.8510      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.4683     -0.00000
     16       8.8269      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6355     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1716     -0.00000
     15       8.4949     -0.00000
     16       8.8492      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1715     -0.00000
     15       8.4712     -0.00000
     16       8.8954      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.6292     -0.00000
     16       9.1459      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9271     -0.00000
     16       8.3256     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81440
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9272     -0.00000
     16       8.3594     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9226     -0.00000
     16       8.3903     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9260     -0.00000
     16       8.3446     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81440
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9454     -0.00000
     16       8.2919     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81440
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9260     -0.00000
     16       8.4132     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8686     -0.00000
     16       8.1064     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8804     -0.00000
     16       7.9166     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8885     -0.00000
     16       7.9260     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3056     -0.00000
     16       7.6341     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3105     -0.00000
     16       7.6905     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3055     -0.00000
     16       7.6578     -0.00000
 Fermi energy:         3.2693377658

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8622      1.00000
      2      -9.9314      1.00000
      3      -8.5644      1.00000
      4      -6.6948      1.00000
      5      -4.2555      1.00000
      6      -1.5049      1.00000
      7       1.7450      1.00000
      8       4.6667     -0.00000
      9       5.3556     -0.00000
     10       7.9083     -0.00000
     11       8.0011     -0.00000
     12      11.8867      0.00000
     13      12.2013      0.00000
     14      16.0889      0.00000
     15      16.1602      0.00000
     16      16.4174      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6117      0.00000
     16      14.3661      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6112      0.00000
     16      14.2606      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6144      1.00000
      2      -9.6831      1.00000
      3      -8.3148      1.00000
      4      -6.4434      1.00000
      5      -3.9988      1.00000
      6      -1.2540      1.00000
      7       1.9993      1.00000
      8       4.8847     -0.00000
      9       5.5632     -0.00000
     10       8.1079     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3031      0.00000
     14      12.8445      0.00000
     15      13.6113      0.00000
     16      14.2905      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7414      0.00000
     14      10.8154      0.00000
     15      12.2975      0.00000
     16      12.6870      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7414      0.00000
     14      10.8154      0.00000
     15      12.2935      0.00000
     16      12.6312      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8711      1.00000
      2      -8.9380      1.00000
      3      -7.5658      1.00000
      4      -5.6895      1.00000
      5      -3.2315      1.00000
      6      -0.5048      1.00000
      7       2.7357      1.00053
      8       5.5097     -0.00000
      9       6.1772     -0.00000
     10       8.3972     -0.00000
     11       8.7436      0.00000
     12       9.2871      0.00000
     13       9.7414      0.00000
     14      10.8154      0.00000
     15      12.2944      0.00000
     16      12.6298      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3335     -0.00000
     13       8.8198      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8708      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3335     -0.00000
     13       8.8198      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8691      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6312      1.00000
      2      -7.6947      1.00000
      3      -6.3161      1.00000
      4      -4.4347      1.00000
      5      -1.9652      1.00000
      6       0.7183      1.00000
      7       3.7487     -0.00182
      8       5.0382     -0.00000
      9       5.9741     -0.00000
     10       6.7148     -0.00000
     11       7.1839     -0.00000
     12       7.3335     -0.00000
     13       8.8198      0.00000
     14       9.7178      0.00000
     15       9.9617      0.00000
     16      10.8693      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9683      0.00000
     16      10.9235      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9685      0.00000
     16      10.9422      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8919      1.00000
      2      -5.9501      1.00000
      3      -4.5648      1.00000
      4      -2.6887      1.00000
      5      -0.2818      1.00000
      6       1.2209      1.00000
      7       2.1086      1.00000
      8       2.8698      1.00798
      9       3.7836     -0.00084
     10       5.4810     -0.00000
     11       5.7055     -0.00000
     12       7.7213     -0.00000
     13       8.1955     -0.00000
     14       8.6814     -0.00000
     15       9.9685      0.00000
     16      10.9495      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7778      0.00000
     15       9.9979      0.00000
     16      10.5035      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7900      0.00000
     15      10.0139      0.00000
     16      10.4702      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6493      1.00000
      2      -3.7045      1.00000
      3      -2.3327      1.00000
      4      -1.9160      1.00000
      5      -1.0620      1.00000
      6      -0.5161      1.00000
      7       0.5908      1.00000
      8       2.1862      1.00000
      9       2.5969      1.00001
     10       4.6600     -0.00000
     11       4.8755     -0.00000
     12       7.1640     -0.00000
     13       7.6293     -0.00000
     14       9.7786      0.00000
     15       9.9913      0.00000
     16      10.5039      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0068      0.00000
     13      11.0429      0.00000
     14      11.5479      0.00000
     15      11.7084      0.00000
     16      12.5779      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0066      0.00000
     13      11.0424      0.00000
     14      11.5474      0.00000
     15      11.6953      0.00000
     16      12.5858      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1189      1.00000
      2      -9.1864      1.00000
      3      -7.8155      1.00000
      4      -5.9408      1.00000
      5      -3.4868      1.00000
      6      -0.7537      1.00000
      7       2.4956      1.00000
      8       5.3100     -0.00000
      9       5.9753     -0.00000
     10       8.4880     -0.00000
     11       8.5514     -0.00000
     12      11.0067      0.00000
     13      11.0424      0.00000
     14      11.5463      0.00000
     15      11.7047      0.00000
     16      12.5642      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5885      0.00000
     15       9.8201      0.00000
     16      10.3113      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9741      0.00000
     13       9.1725      0.00000
     14       9.5886      0.00000
     15       9.8214      0.00000
     16      10.3045      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1721      0.00000
     14       9.5886      0.00000
     15       9.8202      0.00000
     16      10.2753      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1721      0.00000
     14       9.5885      0.00000
     15       9.8202      0.00000
     16      10.2704      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5884      0.00000
     15       9.8203      0.00000
     16      10.2673      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1273      1.00000
      2      -8.1923      1.00000
      3      -6.8162      1.00000
      4      -4.9364      1.00000
      5      -2.4694      1.00000
      6       0.2365      1.00000
      7       3.4238      0.01775
      8       6.0028     -0.00000
      9       6.7257     -0.00000
     10       7.3082     -0.00000
     11       7.9243     -0.00000
     12       8.9740      0.00000
     13       9.1720      0.00000
     14       9.5884      0.00000
     15       9.8202      0.00000
     16      10.2691      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0369      0.00000
     16       9.6387      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5134     -0.00000
     15       9.0369      0.00000
     16       9.6545      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0369      0.00000
     16       9.6380      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5132     -0.00000
     15       9.0374      0.00000
     16       9.6464      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5133     -0.00000
     15       9.0369      0.00000
     16       9.6388      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6377      1.00000
      2      -6.6984      1.00000
      3      -5.3154      1.00000
      4      -3.4342      1.00000
      5      -0.9735      1.00000
      6       1.6264      1.00000
      7       3.2085      0.74640
      8       4.2301     -0.00000
      9       5.1248     -0.00000
     10       5.6162     -0.00000
     11       7.1765     -0.00000
     12       7.5056     -0.00000
     13       8.0403     -0.00000
     14       8.5136     -0.00000
     15       9.0369      0.00000
     16       9.6418      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4687     -0.00000
     15       8.9389      0.00000
     16       9.5325      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7286     -0.00000
     14       8.4617     -0.00000
     15       8.9491      0.00000
     16       9.6926      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4593     -0.00000
     15       8.9349      0.00000
     16       9.4143      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4591     -0.00000
     15       8.9377      0.00000
     16       9.4030      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7289     -0.00000
     14       8.4591     -0.00000
     15       8.9365      0.00000
     16       9.5216      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6460      1.00000
      2      -4.7019      1.00000
      3      -3.3168      1.00000
      4      -1.4725      1.00000
      5      -0.2230      1.00000
      6       0.4749      1.00000
      7       1.3364      1.00000
      8       2.4219      1.00000
      9       3.7925     -0.00068
     10       4.1124     -0.00000
     11       6.2514     -0.00000
     12       6.7073     -0.00000
     13       7.7285     -0.00000
     14       8.4596     -0.00000
     15       8.9362      0.00000
     16       9.6804      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00252
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1811     -0.00000
     15       9.0020      0.00000
     16       9.2930      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00252
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1810     -0.00000
     15       9.0002      0.00000
     16       9.2903      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1676      1.00000
      2      -3.1384      1.00000
      3      -2.2234      1.00000
      4      -2.2110      1.00000
      5      -1.0753      1.00000
      6      -0.6799      1.00000
      7       0.8422      1.00000
      8       1.6007      1.00000
      9       3.5850     -0.02411
     10       3.7331     -0.00252
     11       5.8349     -0.00000
     12       6.2190     -0.00000
     13       7.3999     -0.00000
     14       8.1810     -0.00000
     15       9.0002      0.00000
     16       9.2883      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7824     -0.00000
     14       7.8894     -0.00000
     15       8.0290     -0.00000
     16       9.7562      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7823     -0.00000
     14       7.8894     -0.00000
     15       8.0289     -0.00000
     16       9.7170      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8860      1.00000
      2      -6.9477      1.00000
      3      -5.5657      1.00000
      4      -3.6842      1.00000
      5      -1.2169      1.00000
      6       1.4361      1.00000
      7       4.3265     -0.00000
      8       5.4888     -0.00000
      9       5.8773     -0.00000
     10       6.5025     -0.00000
     11       6.7987     -0.00000
     12       7.3094     -0.00000
     13       7.7823     -0.00000
     14       7.8894     -0.00000
     15       8.0289     -0.00000
     16       9.4946      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.4677     -0.00000
     16       8.8415      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.5589     -0.00000
     16       9.1370      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.5023     -0.00000
     16       8.9349      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.4670     -0.00000
     16       8.8345      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1715     -0.00000
     15       8.4741     -0.00000
     16       9.0089      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1436      1.00000
      2      -5.2015      1.00000
      3      -3.8145      1.00000
      4      -1.9474      1.00000
      5       0.4326      1.00000
      6       1.9472      1.00000
      7       2.7870      1.00169
      8       3.5261     -0.03501
      9       4.4466     -0.00000
     10       4.6354     -0.00000
     11       5.5037     -0.00000
     12       6.0797     -0.00000
     13       6.6404     -0.00000
     14       7.1714     -0.00000
     15       8.7791      0.00000
     16       9.1443      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9237     -0.00000
     16       8.2965     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9224     -0.00000
     16       8.3750     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9217     -0.00000
     16       8.3201     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9234     -0.00000
     16       8.4197     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81439
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9232     -0.00000
     16       8.3566     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8969      1.00000
      2      -2.9568      1.00000
      3      -1.5905      1.00000
      4      -1.1646      1.00000
      5      -0.3295      1.00000
      6       0.2011      1.00000
      7       1.3172      1.00000
      8       2.8108      1.00276
      9       3.1884      0.81440
     10       4.1153     -0.00000
     11       4.8276     -0.00000
     12       5.6176     -0.00000
     13       5.8911     -0.00000
     14       6.7875     -0.00000
     15       7.9335     -0.00000
     16       8.3894     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8765     -0.00000
     16       7.9898     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8549     -0.00000
     16       7.9202     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1449      1.00000
      2      -3.2048      1.00000
      3      -1.8267      1.00000
      4      -0.0412      1.00000
      5       1.2475      1.00000
      6       1.2590      1.00000
      7       1.7589      1.00000
      8       2.1847      1.00000
      9       2.9230      1.01708
     10       3.4449     -0.00757
     11       4.2075     -0.00000
     12       5.3052     -0.00000
     13       5.3724     -0.00000
     14       6.0362     -0.00000
     15       7.8783     -0.00000
     16       7.9321     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3079     -0.00000
     16       7.6684     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3074     -0.00000
     16       7.6344     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6672      1.00000
      2      -1.6356      1.00000
      3      -0.7501      1.00000
      4      -0.7218      1.00000
      5       0.3746      1.00000
      6       0.7460      1.00000
      7       1.0476      1.00000
      8       1.7859      1.00000
      9       2.3359      1.00000
     10       2.6006      1.00001
     11       3.9188     -0.00002
     12       5.2051     -0.00000
     13       5.4251     -0.00000
     14       5.6170     -0.00000
     15       7.3060     -0.00000
     16       7.6455     -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
  8.063  13.763  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.763  23.488  -0.000  -0.004   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.004   0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.763   0.000  -0.002   0.000   0.000  -0.006  -0.000
 13.763  23.488   0.000  -0.004   0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.004  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.317 -62.125  -0.000  -0.066  -0.000   0.000  -0.025   0.000
-62.125  33.182   0.000   0.027   0.000  -0.000   0.015  -0.000
 -0.000   0.000   2.119   0.000  -0.000  -0.328  -0.000   0.000
 -0.066   0.027   0.000   1.654  -0.000  -0.000  -0.254   0.000
 -0.000   0.000  -0.000  -0.000   2.119   0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000   0.000   0.051   0.000  -0.000
 -0.025   0.015  -0.000  -0.254  -0.000   0.000   0.039   0.000
  0.000  -0.000   0.000   0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0010
    FORHF :  cpu time    193.7547: real time    194.4586
    FORNL :  cpu time      0.0844: real time      0.0846
    FORCOR:  cpu time      1.1843: real time      1.1871
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.189E-05 -.287E-05 0.183E+03   0.507E-13 0.260E-13 -.182E+03   0.230E-05 0.299E-05 -.124E+01
   0.279E-05 -.539E-05 0.913E+02   -.261E-14 0.265E-14 -.915E+02   -.375E-05 0.620E-05 0.354E+00
   0.119E-05 0.138E-05 0.183E+00   -.149E-12 -.812E-13 -.102E+00   -.300E-06 -.227E-05 -.175E+00
   0.266E-05 0.218E-05 -.929E+02   0.144E-12 0.845E-13 0.929E+02   -.375E-05 -.717E-06 0.540E-01
   -.282E-06 0.679E-05 -.182E+03   -.387E-13 -.285E-13 0.181E+03   0.998E-06 -.732E-05 0.977E+00
 -----------------------------------------------------------------------------------------------
   0.424E-05 0.189E-05 0.193E-01   0.439E-14 0.346E-14 0.000E+00   -.450E-05 -.111E-05 -.302E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.086834
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.188166
      1.42873      0.82488      4.66622         0.000001     -0.000001     -0.087540
      2.85746      1.64976      6.96739        -0.000000      0.000002     -0.003596
      0.00000      0.00000      9.34956         0.000001     -0.000001     -0.010195
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000001     -0.011498


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88666534 eV

  energy  without entropy=      -13.88591691  energy(sigma->0) =      -13.88641587
 
 d Force = 0.8626453E-05[-0.277E-05, 0.200E-04]  d Energy = 0.1137064E-04-0.274E-05
 d Force = 0.6028789E-02[ 0.596E-02, 0.610E-02]  d Ewald  = 0.6028792E-02-0.309E-08


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


    POTLOK:  cpu time      1.1899: real time      1.1927


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




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


    WAVPRE:  cpu time      0.0033: real time      0.1597
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1912: real time      1.1940
    EDDIAG:  cpu time    253.0816: real time    254.0372
    CHARGE:  cpu time      0.1132: real time      0.1136
 writing wavefunctions
     LOOP+:  cpu time   2986.5064: real time   2998.4799


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


    POTLOK:  cpu time      0.4187: real time      0.4201
    SETDIJ:  cpu time      0.7699: real time      0.7712
    TRIAL :  cpu time    253.0362: real time    253.9817
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    254.3422: real time    255.4312

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6023873E-03  (-0.1644319E-02)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0011610 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.22886371
  -exchange      EXHF   =        33.32096270
  -V(xc)+E(xc)   XCENC  =       -83.53651212
  PAW double counting   =    101693.55143225  -101592.59787247
  entropy T*S    EENTRO =        -0.00055352
  eigenvalues    EBANDS =       -34.57757420
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88605668 eV

  energy without entropy =      -13.88550317  energy(sigma->0) =      -13.88587218
  exchange ACFDT corr.  =        -0.00317978  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    252.5934: real time    253.5523
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    253.9012: real time    254.8633

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8715610E-04  (-0.1523776E-02)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0011596 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.25691305
  -exchange      EXHF   =        33.32092572
  -V(xc)+E(xc)   XCENC  =       -83.53655318
  PAW double counting   =    101693.19583270  -101592.24228896
  entropy T*S    EENTRO =        -0.00056427
  eigenvalues    EBANDS =       -34.54954880
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88614384 eV

  energy without entropy =      -13.88557957  energy(sigma->0) =      -13.88595575
  exchange ACFDT corr.  =        -0.00316644  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4209
    SETDIJ:  cpu time      0.7702: real time      0.7716
    TRIAL :  cpu time    252.4569: real time    253.4181
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    253.7625: real time    254.7269

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6480930E-03  (-0.1786514E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0011591 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.21534415
  -exchange      EXHF   =        33.32059021
  -V(xc)+E(xc)   XCENC  =       -83.53667549
  PAW double counting   =    101692.00084983  -101591.04722649
  entropy T*S    EENTRO =        -0.00056131
  eigenvalues    EBANDS =       -34.59137682
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88679193 eV

  energy without entropy =      -13.88623062  energy(sigma->0) =      -13.88660483
  exchange ACFDT corr.  =        -0.00317165  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4216
    SETDIJ:  cpu time      0.7691: real time      0.7704
    TRIAL :  cpu time    251.9385: real time    252.8996
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1134: real time      0.1138
    --------------------------------------------
      LOOP:  cpu time    253.2436: real time    254.2079

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1422163E-03  (-0.2624960E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0011594 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.19129814
  -exchange      EXHF   =        33.32049326
  -V(xc)+E(xc)   XCENC  =       -83.53672743
  PAW double counting   =    101691.74683125  -101590.79326453
  entropy T*S    EENTRO =        -0.00054921
  eigenvalues    EBANDS =       -34.61536248
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88693415 eV

  energy without entropy =      -13.88638494  energy(sigma->0) =      -13.88675108
  exchange ACFDT corr.  =        -0.00316929  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4220
    SETDIJ:  cpu time      0.7661: real time      0.7675
    TRIAL :  cpu time    252.4888: real time    253.4480
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    253.7910: real time    254.7535

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4015583E-04  (-0.2205434E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0011595 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.19595823
  -exchange      EXHF   =        33.32061184
  -V(xc)+E(xc)   XCENC  =       -83.53670634
  PAW double counting   =    101691.95552815  -101591.00194938
  entropy T*S    EENTRO =        -0.00054882
  eigenvalues    EBANDS =       -34.61090637
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88697430 eV

  energy without entropy =      -13.88642549  energy(sigma->0) =      -13.88679136
  exchange ACFDT corr.  =        -0.00316224  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4211
    SETDIJ:  cpu time      0.7712: real time      0.7726
    TRIAL :  cpu time    252.6052: real time    253.5575
    CORREC:  cpu time      0.0020: real time      0.0020
    CHARGE:  cpu time      0.1135: real time      0.1140
    --------------------------------------------
      LOOP:  cpu time    253.9120: real time    254.8674

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9369022E-04  (-0.2599210E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0011592 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.20080229
  -exchange      EXHF   =        33.32072273
  -V(xc)+E(xc)   XCENC  =       -83.53667129
  PAW double counting   =    101693.16945620  -101592.21587712
  entropy T*S    EENTRO =        -0.00054272
  eigenvalues    EBANDS =       -34.60630266
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88706799 eV

  energy without entropy =      -13.88652528  energy(sigma->0) =      -13.88688709
  exchange ACFDT corr.  =        -0.00316036  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    252.4562: real time    253.4057
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    253.7620: real time    254.7147

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2078082E-04  (-0.3773108E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0011584 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.21504824
  -exchange      EXHF   =        33.32085933
  -V(xc)+E(xc)   XCENC  =       -83.53662686
  PAW double counting   =    101695.07785112  -101594.12428651
  entropy T*S    EENTRO =        -0.00053639
  eigenvalues    EBANDS =       -34.59225013
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88708877 eV

  energy without entropy =      -13.88655238  energy(sigma->0) =      -13.88690998
  exchange ACFDT corr.  =        -0.00315623  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    252.0292: real time    252.9919
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1135: real time      0.1140
    --------------------------------------------
      LOOP:  cpu time    253.3347: real time    254.3006

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7078217E-05  (-0.3342347E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0011572 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.22337750
  -exchange      EXHF   =        33.32094487
  -V(xc)+E(xc)   XCENC  =       -83.53659949
  PAW double counting   =    101697.34008883  -101596.38651783
  entropy T*S    EENTRO =        -0.00053687
  eigenvalues    EBANDS =       -34.58405359
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88709585 eV

  energy without entropy =      -13.88655899  energy(sigma->0) =      -13.88691690
  exchange ACFDT corr.  =        -0.00315236  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7703: real time      0.7717
    TRIAL :  cpu time    252.1100: real time    253.0574
    CORREC:  cpu time      0.0020: real time      0.0020
    CHARGE:  cpu time      0.1136: real time      0.1140
    --------------------------------------------
      LOOP:  cpu time    253.4169: real time    254.3674

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1540635E-04  (-0.5823185E-05)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0011560 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.21838021
  -exchange      EXHF   =        33.32093614
  -V(xc)+E(xc)   XCENC  =       -83.53660095
  PAW double counting   =    101699.67045853  -101598.71687090
  entropy T*S    EENTRO =        -0.00053494
  eigenvalues    EBANDS =       -34.58907224
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88711126 eV

  energy without entropy =      -13.88657631  energy(sigma->0) =      -13.88693294
  exchange ACFDT corr.  =        -0.00315187  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4209
    SETDIJ:  cpu time      0.7716: real time      0.7730
    TRIAL :  cpu time    251.6174: real time    252.5727
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    254.0363: real time    255.0002
    CHARGE:  cpu time      0.1164: real time      0.1168
    --------------------------------------------
      LOOP:  cpu time    506.9638: real time    508.8862

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4822556E-05  (-0.6382199E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0011547 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.60157099
  -Hartree energ DENC   =      -705.21634500
  -exchange      EXHF   =        33.32091027
  -V(xc)+E(xc)   XCENC  =       -83.53660654
  PAW double counting   =    101701.84665815  -101600.89308130
  entropy T*S    EENTRO =        -0.00053176
  eigenvalues    EBANDS =       -34.59108148
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88711608 eV

  energy without entropy =      -13.88658432  energy(sigma->0) =      -13.88693883
  exchange ACFDT corr.  =        -0.00315058  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1104


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7973       2 -69.7048       3 -69.7639       4 -69.7024       5 -69.8202
 
 
 
 E-fermi :   3.2685     XC(G=0):  -5.1132     alpha+bet : -8.9779

 Fermi energy:         3.2684950707

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8643      1.00000
      2      -9.9283      1.00000
      3      -8.5622      1.00000
      4      -6.6974      1.00000
      5      -4.2550      1.00000
      6      -1.5051      1.00000
      7       1.7468      1.00000
      8       4.6655     -0.00000
      9       5.3557     -0.00000
     10       7.9081     -0.00000
     11       8.0011     -0.00000
     12      11.8867      0.00000
     13      12.2012      0.00000
     14      16.0822      0.00000
     15      16.1605      0.00000
     16      16.2769      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5634     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3028      0.00000
     14      12.8432      0.00000
     15      13.6134      0.00000
     16      14.2016      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5634     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3028      0.00000
     14      12.8432      0.00000
     15      13.6137      0.00000
     16      14.2516      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5634     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3027      0.00000
     14      12.8432      0.00000
     15      13.6137      0.00000
     16      14.4657      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.2937      0.00000
     16      12.6373      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.4760      0.00000
     16      12.6577      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.2913      0.00000
     16      12.6308      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7178      0.00000
     15       9.9619      0.00000
     16      11.3039      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7177      0.00000
     15       9.9618      0.00000
     16      10.8692      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8693      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00830
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9705      0.00000
     16      11.0407      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00830
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9754      0.00000
     16      10.9749      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00830
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9679      0.00000
     16      10.9201      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7784      0.00000
     15       9.9931      0.00000
     16      10.5020      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7777      0.00000
     15       9.9937      0.00000
     16      10.5066      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7779      0.00000
     15       9.9891      0.00000
     16      10.5063      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0041      0.00000
     13      11.0404      0.00000
     14      11.5464      0.00000
     15      11.6988      0.00000
     16      12.6148      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0037      0.00000
     13      11.0407      0.00000
     14      11.5479      0.00000
     15      11.7036      0.00000
     16      12.5806      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0038      0.00000
     13      11.0407      0.00000
     14      11.5484      0.00000
     15      11.7088      0.00000
     16      12.5976      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5883      0.00000
     15       9.8198      0.00000
     16      10.2696      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1734      0.00000
     14       9.5886      0.00000
     15       9.8197      0.00000
     16      10.2702      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5884      0.00000
     15       9.8199      0.00000
     16      10.2723      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5884      0.00000
     15       9.8197      0.00000
     16      10.2691      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1734      0.00000
     14       9.5885      0.00000
     15       9.8197      0.00000
     16      10.2752      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5884      0.00000
     15       9.8198      0.00000
     16      10.2694      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0387      0.00000
     16       9.6402      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0387      0.00000
     16       9.6394      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74810
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0388      0.00000
     16       9.6395      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0388      0.00000
     16       9.6395      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74810
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5116     -0.00000
     15       9.0387      0.00000
     16       9.6417      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5116     -0.00000
     15       9.0388      0.00000
     16       9.6550      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7275     -0.00000
     14       8.4681     -0.00000
     15       8.9489      0.00000
     16       9.6753      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7274     -0.00000
     14       8.4607     -0.00000
     15       9.0791      0.00000
     16       9.7158      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7276     -0.00000
     14       8.4600     -0.00000
     15       8.9364      0.00000
     16       9.4143      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7276     -0.00000
     14       8.4624     -0.00000
     15       8.9364      0.00000
     16       9.5841      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7275     -0.00000
     14       8.4618     -0.00000
     15       8.9521      0.00000
     16       9.4922      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7275     -0.00000
     14       8.4600     -0.00000
     15       8.9364      0.00000
     16       9.4027      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5979      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0029      0.00000
     16       9.3109      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5978      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0021      0.00000
     16       9.2911      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5979      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0022      0.00000
     16       9.2957      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0297     -0.00000
     16       9.4510      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0297     -0.00000
     16       9.5418      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0297     -0.00000
     16       9.4610      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4860     -0.00000
     16       8.8683      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4710     -0.00000
     16       8.8444      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4648     -0.00000
     16       8.8253      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4808     -0.00000
     16       8.8408      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4669     -0.00000
     16       8.8688      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.6044     -0.00000
     16       9.1257      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9251     -0.00000
     16       8.3183     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81627
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9240     -0.00000
     16       8.3561     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81626
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9215     -0.00000
     16       8.3866     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9232     -0.00000
     16       8.3388     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81626
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9321     -0.00000
     16       8.2889     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9536      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81627
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9235     -0.00000
     16       8.4092     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8687     -0.00000
     16       8.0642     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8742     -0.00000
     16       7.9150     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8832     -0.00000
     16       7.9177     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3051     -0.00000
     16       7.6331     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3081     -0.00000
     16       7.6867     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3051     -0.00000
     16       7.6564     -0.00000
 Fermi energy:         3.2684950707

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8643      1.00000
      2      -9.9283      1.00000
      3      -8.5622      1.00000
      4      -6.6974      1.00000
      5      -4.2550      1.00000
      6      -1.5051      1.00000
      7       1.7468      1.00000
      8       4.6655     -0.00000
      9       5.3557     -0.00000
     10       7.9081     -0.00000
     11       8.0011     -0.00000
     12      11.8867      0.00000
     13      12.2012      0.00000
     14      16.0869      0.00000
     15      16.1446      0.00000
     16      16.3681      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5633     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3028      0.00000
     14      12.8432      0.00000
     15      13.6135      0.00000
     16      14.3475      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5633     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3028      0.00000
     14      12.8432      0.00000
     15      13.6133      0.00000
     16      14.2384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6165      1.00000
      2      -9.6800      1.00000
      3      -8.3126      1.00000
      4      -6.4460      1.00000
      5      -3.9983      1.00000
      6      -1.2542      1.00000
      7       2.0011      1.00000
      8       4.8835     -0.00000
      9       5.5633     -0.00000
     10       8.1076     -0.00000
     11       8.1968     -0.00000
     12      12.0257      0.00000
     13      12.3028      0.00000
     14      12.8432      0.00000
     15      13.6133      0.00000
     16      14.2719      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.2926      0.00000
     16      12.6753      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.2898      0.00000
     16      12.6306      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8732      1.00000
      2      -8.9349      1.00000
      3      -7.5635      1.00000
      4      -5.6922      1.00000
      5      -3.2311      1.00000
      6      -0.5050      1.00000
      7       2.7374      1.00056
      8       5.5086     -0.00000
      9       6.1774     -0.00000
     10       8.3962     -0.00000
     11       8.7435      0.00000
     12       9.2868      0.00000
     13       9.7431      0.00000
     14      10.8179      0.00000
     15      12.2900      0.00000
     16      12.6294      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8700      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8691      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6334      1.00000
      2      -7.6915      1.00000
      3      -6.3138      1.00000
      4      -4.4374      1.00000
      5      -1.9648      1.00000
      6       0.7179      1.00000
      7       3.7496     -0.00176
      8       5.0368     -0.00000
      9       5.9775     -0.00000
     10       6.7138     -0.00000
     11       7.1844     -0.00000
     12       7.3348     -0.00000
     13       8.8171      0.00000
     14       9.7177      0.00000
     15       9.9617      0.00000
     16      10.8693      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00830
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9679      0.00000
     16      10.9183      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00829
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9681      0.00000
     16      10.9338      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8942      1.00000
      2      -5.9469      1.00000
      3      -4.5624      1.00000
      4      -2.6915      1.00000
      5      -0.2816      1.00000
      6       1.2189      1.00000
      7       2.1101      1.00000
      8       2.8708      1.00829
      9       3.7858     -0.00079
     10       5.4788     -0.00000
     11       5.7062     -0.00000
     12       7.7214     -0.00000
     13       8.1946     -0.00000
     14       8.6815     -0.00000
     15       9.9681      0.00000
     16      10.9474      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7777      0.00000
     15       9.9955      0.00000
     16      10.5031      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7859      0.00000
     15      10.0069      0.00000
     16      10.4662      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6516      1.00000
      2      -3.7012      1.00000
      3      -2.3303      1.00000
      4      -1.9184      1.00000
      5      -1.0596      1.00000
      6      -0.5171      1.00000
      7       0.5922      1.00000
      8       2.1856      1.00000
      9       2.5951      1.00001
     10       4.6605     -0.00000
     11       4.8749     -0.00000
     12       7.1637     -0.00000
     13       7.6307     -0.00000
     14       9.7781      0.00000
     15       9.9905      0.00000
     16      10.5038      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0038      0.00000
     13      11.0408      0.00000
     14      11.5486      0.00000
     15      11.7043      0.00000
     16      12.5761      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0037      0.00000
     13      11.0405      0.00000
     14      11.5484      0.00000
     15      11.6982      0.00000
     16      12.5830      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1210      1.00000
      2      -9.1833      1.00000
      3      -7.8132      1.00000
      4      -5.9434      1.00000
      5      -3.4863      1.00000
      6      -0.7540      1.00000
      7       2.4973      1.00000
      8       5.3089     -0.00000
      9       5.9754     -0.00000
     10       8.4877     -0.00000
     11       8.5514     -0.00000
     12      11.0038      0.00000
     13      11.0405      0.00000
     14      11.5476      0.00000
     15      11.7025      0.00000
     16      12.5610      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1734      0.00000
     14       9.5884      0.00000
     15       9.8197      0.00000
     16      10.2977      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1735      0.00000
     14       9.5884      0.00000
     15       9.8200      0.00000
     16      10.2928      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1734      0.00000
     14       9.5885      0.00000
     15       9.8197      0.00000
     16      10.2739      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9735      0.00000
     13       9.1734      0.00000
     14       9.5884      0.00000
     15       9.8199      0.00000
     16      10.2705      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5883      0.00000
     15       9.8198      0.00000
     16      10.2688      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1295      1.00000
      2      -8.1891      1.00000
      3      -6.8139      1.00000
      4      -4.9392      1.00000
      5      -2.4690      1.00000
      6       0.2361      1.00000
      7       3.4253      0.01456
      8       6.0018     -0.00000
      9       6.7255     -0.00000
     10       7.3063     -0.00000
     11       7.9274     -0.00000
     12       8.9734      0.00000
     13       9.1734      0.00000
     14       9.5883      0.00000
     15       9.8197      0.00000
     16      10.2699      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5116     -0.00000
     15       9.0387      0.00000
     16       9.6397      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74810
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0387      0.00000
     16       9.6497      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0387      0.00000
     16       9.6395      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5116     -0.00000
     15       9.0389      0.00000
     16       9.6420      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5117     -0.00000
     15       9.0388      0.00000
     16       9.6399      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6399      1.00000
      2      -6.6953      1.00000
      3      -5.3131      1.00000
      4      -3.4370      1.00000
      5      -0.9732      1.00000
      6       1.6260      1.00000
      7       3.2066      0.74809
      8       4.2326     -0.00000
      9       5.1270     -0.00000
     10       5.6181     -0.00000
     11       7.1738     -0.00000
     12       7.5045     -0.00000
     13       8.0403     -0.00000
     14       8.5118     -0.00000
     15       9.0387      0.00000
     16       9.6416      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7274     -0.00000
     14       8.4626     -0.00000
     15       8.9381      0.00000
     16       9.4862      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7275     -0.00000
     14       8.4613     -0.00000
     15       8.9468      0.00000
     16       9.6878      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7274     -0.00000
     14       8.4600     -0.00000
     15       8.9366      0.00000
     16       9.4065      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7274     -0.00000
     14       8.4600     -0.00000
     15       8.9374      0.00000
     16       9.4005      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7276     -0.00000
     14       8.4599     -0.00000
     15       8.9372      0.00000
     16       9.4926      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6483      1.00000
      2      -4.6988      1.00000
      3      -3.3145      1.00000
      4      -1.4752      1.00000
      5      -0.2256      1.00000
      6       0.4774      1.00000
      7       1.3378      1.00000
      8       2.4239      1.00000
      9       3.7925     -0.00067
     10       4.1094     -0.00000
     11       6.2512     -0.00000
     12       6.7084     -0.00000
     13       7.7275     -0.00000
     14       8.4602     -0.00000
     15       8.9375      0.00000
     16       9.6705      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5979      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0028      0.00000
     16       9.2934      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5979      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0021      0.00000
     16       9.2920      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1699      1.00000
      2      -3.1408      1.00000
      3      -2.2192      1.00000
      4      -2.2089      1.00000
      5      -1.0723      1.00000
      6      -0.6783      1.00000
      7       0.8398      1.00000
      8       1.5979      1.00000
      9       3.5851     -0.02388
     10       3.7337     -0.00244
     11       5.8340     -0.00000
     12       6.2190     -0.00000
     13       7.3982     -0.00000
     14       8.1830     -0.00000
     15       9.0021      0.00000
     16       9.2905      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0298     -0.00000
     16       9.7158      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0297     -0.00000
     16       9.6958      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8882      1.00000
      2      -6.9446      1.00000
      3      -5.5634      1.00000
      4      -3.6870      1.00000
      5      -1.2165      1.00000
      6       1.4357      1.00000
      7       4.3272     -0.00000
      8       5.4867     -0.00000
      9       5.8766     -0.00000
     10       6.5047     -0.00000
     11       6.8023     -0.00000
     12       7.3095     -0.00000
     13       7.7842     -0.00000
     14       7.8891     -0.00000
     15       8.0297     -0.00000
     16       9.4812      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4644     -0.00000
     16       8.8360      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.5409     -0.00000
     16       9.1084      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4873     -0.00000
     16       8.9025      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4638     -0.00000
     16       8.8313      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1725     -0.00000
     15       8.4697     -0.00000
     16       8.9942      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1459      1.00000
      2      -5.1983      1.00000
      3      -3.8122      1.00000
      4      -1.9502      1.00000
      5       0.4329      1.00000
      6       1.9453      1.00000
      7       2.7884      1.00178
      8       3.5272     -0.03480
      9       4.4487     -0.00000
     10       4.6338     -0.00000
     11       5.5057     -0.00000
     12       6.0785     -0.00000
     13       6.6424     -0.00000
     14       7.1724     -0.00000
     15       8.7197      0.00000
     16       9.0915      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9218     -0.00000
     16       8.2941     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9211     -0.00000
     16       8.3638     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9207     -0.00000
     16       8.3135     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9218     -0.00000
     16       8.4148     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81625
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9217     -0.00000
     16       8.3538     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8992      1.00000
      2      -2.9535      1.00000
      3      -1.5881      1.00000
      4      -1.1670      1.00000
      5      -0.3272      1.00000
      6       0.2001      1.00000
      7       1.3186      1.00000
      8       2.8104      1.00280
      9       3.1867      0.81626
     10       4.1129     -0.00000
     11       4.8298     -0.00000
     12       5.6172     -0.00000
     13       5.8926     -0.00000
     14       6.7894     -0.00000
     15       7.9296     -0.00000
     16       8.3807     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8742     -0.00000
     16       7.9580     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8551     -0.00000
     16       7.9184     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1472      1.00000
      2      -3.2016      1.00000
      3      -1.8242      1.00000
      4      -0.0437      1.00000
      5       1.2456      1.00000
      6       1.2556      1.00000
      7       1.7622      1.00000
      8       2.1869      1.00000
      9       2.9246      1.01769
     10       3.4480     -0.01040
     11       4.2085     -0.00000
     12       5.3050     -0.00000
     13       5.3702     -0.00000
     14       6.0333     -0.00000
     15       7.8751     -0.00000
     16       7.9222     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3065     -0.00000
     16       7.6656     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3060     -0.00000
     16       7.6335     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6697      1.00000
      2      -1.6378      1.00000
      3      -0.7478      1.00000
      4      -0.7178      1.00000
      5       0.3778      1.00000
      6       0.7474      1.00000
      7       1.0454      1.00000
      8       1.7880      1.00000
      9       2.3348      1.00000
     10       2.5998      1.00001
     11       3.9189     -0.00002
     12       5.2041     -0.00000
     13       5.4263     -0.00000
     14       5.6149     -0.00000
     15       7.3055     -0.00000
     16       7.6422     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881   0.000  -0.000   5.469   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469   0.000  -0.000  15.767   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.489   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.315 -62.124  -0.000  -0.068   0.000   0.000  -0.024  -0.000
-62.124  33.181   0.000   0.028  -0.000  -0.000   0.014   0.000
 -0.000   0.000   2.118  -0.000   0.000  -0.328   0.000  -0.000
 -0.068   0.028  -0.000   1.654  -0.000   0.000  -0.254   0.000
  0.000  -0.000   0.000  -0.000   2.118  -0.000   0.000  -0.328
  0.000  -0.000  -0.328   0.000  -0.000   0.051  -0.000   0.000
 -0.024   0.014   0.000  -0.254   0.000  -0.000   0.039  -0.000
 -0.000   0.000  -0.000   0.000  -0.328   0.000  -0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    194.1064: real time    194.8110
    FORNL :  cpu time      0.0792: real time      0.0794
    FORCOR:  cpu time      1.1857: real time      1.1884
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.120E-04 0.866E-05 0.183E+03   0.504E-13 0.260E-13 -.182E+03   -.119E-04 -.101E-04 -.124E+01
   -.264E-05 -.723E-05 0.914E+02   0.690E-15 0.399E-14 -.916E+02   0.248E-05 0.599E-05 0.327E+00
   0.342E-05 0.884E-05 -.988E-01   -.147E-12 -.827E-13 0.152E+00   -.278E-05 -.103E-04 -.121E+00
   0.314E-05 0.894E-05 -.930E+02   0.140E-12 0.834E-13 0.929E+02   -.159E-05 -.111E-04 0.538E-01
   0.826E-05 0.113E-04 -.181E+03   -.399E-13 -.272E-13 0.181E+03   -.832E-05 -.129E-04 0.960E+00
 -----------------------------------------------------------------------------------------------
   0.269E-04 0.332E-04 0.468E-02   0.439E-14 0.346E-14 0.284E-13   -.222E-04 -.383E-04 -.185E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000000     -0.084322
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.168443
      1.42873      0.82488      4.65986         0.000000      0.000000     -0.061449
      2.85746      1.64976      6.96468         0.000001     -0.000001     -0.008285
      0.00000      0.00000      9.35013        -0.000001     -0.000000     -0.014387
 -----------------------------------------------------------------------------------
    total drift:                                0.000004     -0.000007     -0.013636


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88711608 eV

  energy  without entropy=      -13.88658432  energy(sigma->0) =      -13.88693883
 
 d Force = 0.4828560E-03[ 0.405E-03, 0.561E-03]  d Energy = 0.4507365E-03 0.321E-04
 d Force =-0.1484172E+00[-0.149E+00,-0.147E+00]  d Ewald  =-0.1484173E+00 0.813E-07


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


    POTLOK:  cpu time      1.1903: real time      1.1932


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000451  1 .order   -0.000483   -0.000561   -0.000405
  (g-gl).g = 0.392E-03      g.g   = 0.375E-03  gl.gl    = 0.218E-02
 g(Force)  = 0.375E-03   g(Stress)= 0.000E+00 ortho     =-0.171E-04
 gamma     =   0.17979
 trial     =   1.50616
 opt step  =   5.42585  (harmonic =   5.42585) maximal distance =0.00206494
 next E    =   -13.887675   (d E  =  -0.00101)


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


    WAVPRE:  cpu time      0.0042: real time      0.1778
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0514: real time      0.0516
    POTLOK:  cpu time      1.1900: real time      1.1928
    EDDIAG:  cpu time    255.5230: real time    256.4914
    CHARGE:  cpu time      0.1119: real time      0.1123
 writing wavefunctions
     LOOP+:  cpu time   3244.4800: real time   3257.2897


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


    POTLOK:  cpu time      0.4186: real time      0.4200
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    252.0333: real time    253.0169
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    253.3382: real time    254.4843

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5448680E-02  (-0.4873151E-02)
 number of electron      15.0000000 magnetization       0.0000010
 augmentation part       -0.0012447 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.78334828
  -exchange      EXHF   =        33.32116276
  -V(xc)+E(xc)   XCENC  =       -83.53666532
  PAW double counting   =    101607.20342772  -101506.24986260
  entropy T*S    EENTRO =        -0.00003797
  eigenvalues    EBANDS =       -34.41421819
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88166258 eV

  energy without entropy =      -13.88162460  energy(sigma->0) =      -13.88164992
  exchange ACFDT corr.  =        -0.00295299  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7719: real time      0.7734
    TRIAL :  cpu time    252.7366: real time    253.7155
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1127: real time      0.1132
    --------------------------------------------
      LOOP:  cpu time    254.0437: real time    255.0258

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1414794E-02  (-0.4582981E-02)
 number of electron      15.0000000 magnetization       0.0000013
 augmentation part       -0.0012343 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.71299276
  -exchange      EXHF   =        33.32064436
  -V(xc)+E(xc)   XCENC  =       -83.53691585
  PAW double counting   =    101599.26547468  -101498.31188437
  entropy T*S    EENTRO =        -0.00006796
  eigenvalues    EBANDS =       -34.48528132
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88307737 eV

  energy without entropy =      -13.88300941  energy(sigma->0) =      -13.88305472
  exchange ACFDT corr.  =        -0.00294120  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7692: real time      0.7705
    TRIAL :  cpu time    253.6219: real time    254.6094
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1119: real time      0.1124
    --------------------------------------------
      LOOP:  cpu time    254.9254: real time    255.9161

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2454466E-02  (-0.1195920E-02)
 number of electron      15.0000000 magnetization       0.0000018
 augmentation part       -0.0012264 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.57310751
  -exchange      EXHF   =        33.31973008
  -V(xc)+E(xc)   XCENC  =       -83.53728958
  PAW double counting   =    101594.32790523  -101493.37426850
  entropy T*S    EENTRO =        -0.00005107
  eigenvalues    EBANDS =       -34.62634948
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88553184 eV

  energy without entropy =      -13.88548077  energy(sigma->0) =      -13.88551482
  exchange ACFDT corr.  =        -0.00295314  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4209
    SETDIJ:  cpu time      0.7692: real time      0.7705
    TRIAL :  cpu time    253.2635: real time    254.2418
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1120: real time      0.1124
    --------------------------------------------
      LOOP:  cpu time    254.5668: real time    255.5482

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9395258E-03  (-0.9578526E-03)
 number of electron      15.0000000 magnetization       0.0000022
 augmentation part       -0.0012204 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.56165442
  -exchange      EXHF   =        33.31963605
  -V(xc)+E(xc)   XCENC  =       -83.53738580
  PAW double counting   =    101593.12625757  -101492.17265395
  entropy T*S    EENTRO =        -0.00001976
  eigenvalues    EBANDS =       -34.63853563
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88647136 eV

  energy without entropy =      -13.88645161  energy(sigma->0) =      -13.88646478
  exchange ACFDT corr.  =        -0.00294443  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7694: real time      0.7707
    TRIAL :  cpu time    253.4853: real time    254.4710
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1126: real time      0.1130
    --------------------------------------------
      LOOP:  cpu time    254.7896: real time    255.7785

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4035915E-03  (-0.6827990E-03)
 number of electron      15.0000000 magnetization       0.0000026
 augmentation part       -0.0012157 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.60292152
  -exchange      EXHF   =        33.32001211
  -V(xc)+E(xc)   XCENC  =       -83.53730333
  PAW double counting   =    101596.68283957  -101495.72926567
  entropy T*S    EENTRO =        -0.00002225
  eigenvalues    EBANDS =       -34.59813223
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88687496 eV

  energy without entropy =      -13.88685271  energy(sigma->0) =      -13.88686754
  exchange ACFDT corr.  =        -0.00292847  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    254.3604: real time    255.3317
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    255.6646: real time    256.6392

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3585246E-03  (-0.1678257E-03)
 number of electron      15.0000000 magnetization       0.0000030
 augmentation part       -0.0012101 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.60185573
  -exchange      EXHF   =        33.32025260
  -V(xc)+E(xc)   XCENC  =       -83.53723265
  PAW double counting   =    101605.12126860  -101504.16770991
  entropy T*S    EENTRO =        -0.00001391
  eigenvalues    EBANDS =       -34.59985001
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88723348 eV

  energy without entropy =      -13.88721957  energy(sigma->0) =      -13.88722884
  exchange ACFDT corr.  =        -0.00292431  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7681: real time      0.7696
    TRIAL :  cpu time    254.1287: real time    255.0828
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1122: real time      0.1126
    --------------------------------------------
      LOOP:  cpu time    255.4322: real time    256.3896

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1318933E-03  (-0.1387436E-03)
 number of electron      15.0000000 magnetization       0.0000033
 augmentation part       -0.0012042 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.61551855
  -exchange      EXHF   =        33.32052319
  -V(xc)+E(xc)   XCENC  =       -83.53714338
  PAW double counting   =    101616.20806956  -101515.25453449
  entropy T*S    EENTRO =        -0.00000037
  eigenvalues    EBANDS =       -34.58666367
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88736537 eV

  energy without entropy =      -13.88736501  energy(sigma->0) =      -13.88736525
  exchange ACFDT corr.  =        -0.00291698  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7687: real time      0.7700
    TRIAL :  cpu time    254.1735: real time    255.1338
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1123: real time      0.1127
    --------------------------------------------
      LOOP:  cpu time    255.4773: real time    256.4408

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6491240E-04  (-0.1117541E-03)
 number of electron      15.0000000 magnetization       0.0000035
 augmentation part       -0.0011981 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.63635280
  -exchange      EXHF   =        33.32072878
  -V(xc)+E(xc)   XCENC  =       -83.53707535
  PAW double counting   =    101627.82077659  -101526.86723321
  entropy T*S    EENTRO =         0.00000194
  eigenvalues    EBANDS =       -34.56618981
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88743029 eV

  energy without entropy =      -13.88743222  energy(sigma->0) =      -13.88743093
  exchange ACFDT corr.  =        -0.00290900  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    253.8264: real time    254.7884
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    255.1306: real time    256.0958

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6493140E-04  (-0.3731456E-04)
 number of electron      15.0000000 magnetization       0.0000036
 augmentation part       -0.0011914 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.63733588
  -exchange      EXHF   =        33.32074549
  -V(xc)+E(xc)   XCENC  =       -83.53706566
  PAW double counting   =    101640.08398449  -101539.13044094
  entropy T*S    EENTRO =         0.00000744
  eigenvalues    EBANDS =       -34.56530052
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88749522 eV

  energy without entropy =      -13.88750265  energy(sigma->0) =      -13.88749770
  exchange ACFDT corr.  =        -0.00290638  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7684: real time      0.7698
    TRIAL :  cpu time    253.6782: real time    254.6257
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    254.9817: real time    255.9324

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3021868E-04  (-0.2557339E-04)
 number of electron      15.0000000 magnetization       0.0000037
 augmentation part       -0.0011847 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.63567515
  -exchange      EXHF   =        33.32071328
  -V(xc)+E(xc)   XCENC  =       -83.53707637
  PAW double counting   =    101652.07613958  -101551.12257016
  entropy T*S    EENTRO =         0.00001331
  eigenvalues    EBANDS =       -34.56697991
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88752544 eV

  energy without entropy =      -13.88753874  energy(sigma->0) =      -13.88752987
  exchange ACFDT corr.  =        -0.00290323  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7708: real time      0.7722
    TRIAL :  cpu time    253.8668: real time    254.8652
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1123: real time      0.1128
    --------------------------------------------
      LOOP:  cpu time    255.1727: real time    256.1742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1398916E-04  (-0.1755113E-04)
 number of electron      15.0000000 magnetization       0.0000038
 augmentation part       -0.0011788 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.63175475
  -exchange      EXHF   =        33.32066996
  -V(xc)+E(xc)   XCENC  =       -83.53709203
  PAW double counting   =    101663.62757358  -101562.67400559
  entropy T*S    EENTRO =         0.00001508
  eigenvalues    EBANDS =       -34.57085977
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88753943 eV

  energy without entropy =      -13.88755450  energy(sigma->0) =      -13.88754445
  exchange ACFDT corr.  =        -0.00290018  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4214
    SETDIJ:  cpu time      0.7682: real time      0.7696
    TRIAL :  cpu time    253.9693: real time    254.9369
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1128: real time      0.1132
    --------------------------------------------
      LOOP:  cpu time    255.2728: real time    256.2436

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1003655E-04  (-0.5137615E-05)
 number of electron      15.0000000 magnetization       0.0000038
 augmentation part       -0.0011741 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.62539259
  -exchange      EXHF   =        33.32062657
  -V(xc)+E(xc)   XCENC  =       -83.53710677
  PAW double counting   =    101674.05002368  -101573.09646586
  entropy T*S    EENTRO =         0.00001909
  eigenvalues    EBANDS =       -34.57716545
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88754946 eV

  energy without entropy =      -13.88756855  energy(sigma->0) =      -13.88755583
  exchange ACFDT corr.  =        -0.00289872  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7691: real time      0.7705
    TRIAL :  cpu time    254.0605: real time    255.0210
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    254.3307: real time    255.3241
    CHARGE:  cpu time      0.1121: real time      0.1125
    --------------------------------------------
      LOOP:  cpu time    509.6953: real time    511.6524

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3977590E-05  (-0.3032164E-05)
 number of electron      15.0000000 magnetization       0.0000038
 augmentation part       -0.0011706 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.99653163
  -Hartree energ DENC   =      -705.62631638
  -exchange      EXHF   =        33.32065861
  -V(xc)+E(xc)   XCENC  =       -83.53710699
  PAW double counting   =    101682.95344039  -101581.99987419
  entropy T*S    EENTRO =         0.00002329
  eigenvalues    EBANDS =       -34.57626448
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88755344 eV

  energy without entropy =      -13.88757673  energy(sigma->0) =      -13.88756120
  exchange ACFDT corr.  =        -0.00289641  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0968


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7946       2 -69.6960       3 -69.7599       4 -69.7088       5 -69.8247
 
 
 
 E-fermi :   3.2657     XC(G=0):  -5.1134     alpha+bet : -8.9779

 Fermi energy:         3.2656770687

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8690      1.00000
      2      -9.9184      1.00000
      3      -8.5580      1.00000
      4      -6.7036      1.00000
      5      -4.2532      1.00000
      6      -1.5050      1.00000
      7       1.7513      1.00000
      8       4.6623     -0.00000
      9       5.3549     -0.00000
     10       7.9076     -0.00000
     11       8.0002     -0.00000
     12      11.8857      0.00000
     13      12.2013      0.00000
     14      16.0783      0.00000
     15      16.1274      0.00000
     16      16.2073      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6209      0.00000
     16      14.1956      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6209      0.00000
     16      14.2289      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6210      0.00000
     16      14.4444      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.2857      0.00000
     16      12.6328      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.4232      0.00000
     16      12.6442      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.2843      0.00000
     16      12.6293      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7176      0.00000
     15       9.9614      0.00000
     16      11.2450      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7175      0.00000
     15       9.9613      0.00000
     16      10.8701      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7175      0.00000
     15       9.9613      0.00000
     16      10.8702      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9692      0.00000
     16      11.0112      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9681      0.00000
     16      10.9609      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9677      0.00000
     16      10.9140      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5944      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7780      0.00000
     15       9.9905      0.00000
     16      10.5006      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5944      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7777      0.00000
     15       9.9914      0.00000
     16      10.5058      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5943      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7778      0.00000
     15       9.9880      0.00000
     16      10.5055      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9971      0.00000
     13      11.0355      0.00000
     14      11.5546      0.00000
     15      11.7095      0.00000
     16      12.6083      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9969      0.00000
     13      11.0356      0.00000
     14      11.5552      0.00000
     15      11.7125      0.00000
     16      12.5768      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9969      0.00000
     13      11.0357      0.00000
     14      11.5555      0.00000
     15      11.7164      0.00000
     16      12.5943      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5880      0.00000
     15       9.8185      0.00000
     16      10.2747      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5882      0.00000
     15       9.8185      0.00000
     16      10.2761      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00596
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8185      0.00000
     16      10.2767      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8185      0.00000
     16      10.2747      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9712      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8185      0.00000
     16      10.2790      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5880      0.00000
     15       9.8185      0.00000
     16      10.2749      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6445      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6442      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75471
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6443      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6443      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75471
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6452      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6464      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7255     -0.00000
     14       8.4666     -0.00000
     15       8.9515      0.00000
     16       9.6629      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4624     -0.00000
     15       9.0336      0.00000
     16       9.7113      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7255     -0.00000
     14       8.4622     -0.00000
     15       8.9443      0.00000
     16       9.4031      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7255     -0.00000
     14       8.4630     -0.00000
     15       8.9443      0.00000
     16       9.5621      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4624     -0.00000
     15       8.9463      0.00000
     16       9.4374      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4814      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4623     -0.00000
     15       8.9443      0.00000
     16       9.3961      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02305
     10       3.7361     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0095      0.00000
     16       9.3066      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02306
     10       3.7361     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0091      0.00000
     16       9.2950      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02306
     10       3.7362     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0091      0.00000
     16       9.2983      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3084     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.4379      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3084     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.5108      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3084     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.4428      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4731     -0.00000
     16       8.8533      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4647     -0.00000
     16       8.8390      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4601     -0.00000
     16       8.8230      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4657     -0.00000
     16       8.8320      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4615     -0.00000
     16       8.8546      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.5682     -0.00000
     16       9.0975      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81822
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7927     -0.00000
     15       7.9235     -0.00000
     16       8.3064     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81825
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9214     -0.00000
     16       8.3517     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81822
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9204     -0.00000
     16       8.3834     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81822
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9214     -0.00000
     16       8.3298     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81823
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7927     -0.00000
     15       7.9229     -0.00000
     16       8.2842     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81825
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9215     -0.00000
     16       8.4064     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1910      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8702     -0.00000
     16       7.9906     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1910      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8696     -0.00000
     16       7.9151     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1910      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8766     -0.00000
     16       7.9151     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0399      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2023     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3047     -0.00000
     16       7.6328     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0399      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2023     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3062     -0.00000
     16       7.6820     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0399      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2023     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3048     -0.00000
     16       7.6557     -0.00000
 Fermi energy:         3.2656770687

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8690      1.00000
      2      -9.9184      1.00000
      3      -8.5580      1.00000
      4      -6.7036      1.00000
      5      -4.2532      1.00000
      6      -1.5050      1.00000
      7       1.7513      1.00000
      8       4.6623     -0.00000
      9       5.3549     -0.00000
     10       7.9076     -0.00000
     11       8.0002     -0.00000
     12      11.8857      0.00000
     13      12.2013      0.00000
     14      16.0821      0.00000
     15      16.1288      0.00000
     16      16.3211      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6210      0.00000
     16      14.3084      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6208      0.00000
     16      14.2156      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6213      1.00000
      2      -9.6701      1.00000
      3      -8.3083      1.00000
      4      -6.4522      1.00000
      5      -3.9965      1.00000
      6      -1.2541      1.00000
      7       2.0056      1.00000
      8       4.8804     -0.00000
      9       5.5626     -0.00000
     10       8.1071     -0.00000
     11       8.1960     -0.00000
     12      12.0248      0.00000
     13      12.3016      0.00000
     14      12.8409      0.00000
     15      13.6208      0.00000
     16      14.2451      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.2858      0.00000
     16      12.6607      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.2835      0.00000
     16      12.6290      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8780      1.00000
      2      -8.9249      1.00000
      3      -7.5592      1.00000
      4      -5.6985      1.00000
      5      -3.2293      1.00000
      6      -0.5051      1.00000
      7       2.7417      1.00066
      8       5.5057     -0.00000
      9       6.1766     -0.00000
     10       8.3935     -0.00000
     11       8.7429      0.00000
     12       9.2858      0.00000
     13       9.7497      0.00000
     14      10.8222      0.00000
     15      12.2837      0.00000
     16      12.6283      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7175      0.00000
     15       9.9613      0.00000
     16      10.8705      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7175      0.00000
     15       9.9613      0.00000
     16      10.8701      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6383      1.00000
      2      -7.6814      1.00000
      3      -6.3095      1.00000
      4      -4.4438      1.00000
      5      -1.9632      1.00000
      6       0.7176      1.00000
      7       3.7520     -0.00157
      8       5.0335     -0.00000
      9       5.9876     -0.00000
     10       6.7108     -0.00000
     11       7.1846     -0.00000
     12       7.3369     -0.00000
     13       8.8110      0.00000
     14       9.7175      0.00000
     15       9.9613      0.00000
     16      10.8702      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9677      0.00000
     16      10.9114      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9678      0.00000
     16      10.9263      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8992      1.00000
      2      -5.9366      1.00000
      3      -4.5581      1.00000
      4      -2.6979      1.00000
      5      -0.2802      1.00000
      6       1.2145      1.00000
      7       2.1150      1.00000
      8       2.8751      1.00930
      9       3.7896     -0.00067
     10       5.4739     -0.00000
     11       5.7081     -0.00000
     12       7.7221     -0.00000
     13       8.1925     -0.00000
     14       8.6809     -0.00000
     15       9.9678      0.00000
     16      10.9450      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5944      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7777      0.00000
     15       9.9924      0.00000
     16      10.5014      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5944      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7826      0.00000
     15       9.9983      0.00000
     16      10.4603      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6570      1.00000
      2      -3.6907      1.00000
      3      -2.3258      1.00000
      4      -1.9242      1.00000
      5      -1.0513      1.00000
      6      -0.5196      1.00000
      7       0.5944      1.00000
      8       2.1844      1.00000
      9       2.5914      1.00001
     10       4.6622     -0.00000
     11       4.8740     -0.00000
     12       7.1631     -0.00000
     13       7.6343     -0.00000
     14       9.7779      0.00000
     15       9.9891      0.00000
     16      10.5026      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9969      0.00000
     13      11.0357      0.00000
     14      11.5556      0.00000
     15      11.7128      0.00000
     16      12.5733      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9969      0.00000
     13      11.0356      0.00000
     14      11.5554      0.00000
     15      11.7094      0.00000
     16      12.5832      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1258      1.00000
      2      -9.1733      1.00000
      3      -7.8090      1.00000
      4      -5.9497      1.00000
      5      -3.4846      1.00000
      6      -0.7540      1.00000
      7       2.5017      1.00000
      8       5.3058     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5506     -0.00000
     12      10.9969      0.00000
     13      11.0356      0.00000
     14      11.5551      0.00000
     15      11.7118      0.00000
     16      12.5587      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8185      0.00000
     16      10.2911      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5880      0.00000
     15       9.8185      0.00000
     16      10.2875      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8185      0.00000
     16      10.2785      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2758      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5880      0.00000
     15       9.8185      0.00000
     16      10.2748      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1343      1.00000
      2      -8.1791      1.00000
      3      -6.8097      1.00000
      4      -4.9455      1.00000
      5      -2.4673      1.00000
      6       0.2359      1.00000
      7       3.4292      0.00595
      8       5.9992     -0.00000
      9       6.7240     -0.00000
     10       7.3011     -0.00000
     11       7.9378     -0.00000
     12       8.9711      0.00000
     13       9.1762      0.00000
     14       9.5880      0.00000
     15       9.8185      0.00000
     16      10.2757      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75470
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6444      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6496      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75467
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6443      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75470
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6450      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75467
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5075     -0.00000
     15       9.0452      0.00000
     16       9.6444      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6449      1.00000
      2      -6.6851      1.00000
      3      -5.3088      1.00000
      4      -3.4434      1.00000
      5      -0.9717      1.00000
      6       1.6256      1.00000
      7       3.2018      0.75469
      8       4.2413     -0.00000
      9       5.1322     -0.00000
     10       5.6215     -0.00000
     11       7.1674     -0.00000
     12       7.5020     -0.00000
     13       8.0391     -0.00000
     14       8.5076     -0.00000
     15       9.0452      0.00000
     16       9.6454      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4627     -0.00000
     15       8.9447      0.00000
     16       9.4389      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7256     -0.00000
     14       8.4628     -0.00000
     15       8.9504      0.00000
     16       9.6790      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4623     -0.00000
     15       8.9444      0.00000
     16       9.3977      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4622     -0.00000
     15       8.9445      0.00000
     16       9.3954      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7255     -0.00000
     14       8.4622     -0.00000
     15       8.9445      0.00000
     16       9.4515      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6535      1.00000
      2      -4.6883      1.00000
      3      -3.3101      1.00000
      4      -1.4813      1.00000
      5      -0.2319      1.00000
      6       0.4857      1.00000
      7       1.3417      1.00000
      8       2.4279      1.00000
      9       3.7925     -0.00062
     10       4.1029     -0.00000
     11       6.2513     -0.00000
     12       6.7114     -0.00000
     13       7.7254     -0.00000
     14       8.4624     -0.00000
     15       8.9448      0.00000
     16       9.6569      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02306
     10       3.7362     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0095      0.00000
     16       9.2962      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02306
     10       3.7362     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0091      0.00000
     16       9.2956      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1746      1.00000
      2      -3.1472      1.00000
      3      -2.2066      1.00000
      4      -2.2004      1.00000
      5      -1.0673      1.00000
      6      -0.6750      1.00000
      7       0.8336      1.00000
      8       1.5914      1.00000
      9       3.5857     -0.02306
     10       3.7362     -0.00218
     11       5.8324     -0.00000
     12       6.2195     -0.00000
     13       7.3943     -0.00000
     14       8.1892     -0.00000
     15       9.0091      0.00000
     16       9.2946      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3083     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.6804      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3083     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.6605      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8932      1.00000
      2      -6.9344      1.00000
      3      -5.5591      1.00000
      4      -3.6934      1.00000
      5      -1.2150      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4823     -0.00000
      9       5.8743     -0.00000
     10       6.5128     -0.00000
     11       6.8139     -0.00000
     12       7.3084     -0.00000
     13       7.7856     -0.00000
     14       7.8883     -0.00000
     15       8.0320     -0.00000
     16       9.4627      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5128     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4598     -0.00000
     16       8.8315      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.5178     -0.00000
     16       9.0620      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4769     -0.00000
     16       8.8812      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4595     -0.00000
     16       8.8278      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5127     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.4635     -0.00000
     16       8.9810      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1510      1.00000
      2      -5.1879      1.00000
      3      -3.8078      1.00000
      4      -1.9566      1.00000
      5       0.4342      1.00000
      6       1.9410      1.00000
      7       2.7927      1.00208
      8       3.5318     -0.03395
      9       4.4521     -0.00000
     10       4.6300     -0.00000
     11       5.5128     -0.00000
     12       6.0756     -0.00000
     13       6.6472     -0.00000
     14       7.1739     -0.00000
     15       8.6011     -0.00000
     16       8.9590      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81820
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9202     -0.00000
     16       8.2901     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81820
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9201     -0.00000
     16       8.3470     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81821
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7927     -0.00000
     15       7.9199     -0.00000
     16       8.3024     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81821
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9204     -0.00000
     16       8.4124     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81821
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9204     -0.00000
     16       8.3501     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9046      1.00000
      2      -2.9429      1.00000
      3      -1.5836      1.00000
      4      -1.1727      1.00000
      5      -0.3189      1.00000
      6       0.1979      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00293
      9       3.1831      0.81821
     10       4.1078     -0.00000
     11       4.8366     -0.00000
     12       5.6165     -0.00000
     13       5.8972     -0.00000
     14       6.7928     -0.00000
     15       7.9258     -0.00000
     16       8.3661     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1909      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8707     -0.00000
     16       7.9385     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1909      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8561     -0.00000
     16       7.9175     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1525      1.00000
      2      -3.1909      1.00000
      3      -1.8197      1.00000
      4      -0.0493      1.00000
      5       1.2394      1.00000
      6       1.2493      1.00000
      7       1.7723      1.00000
      8       2.1945      1.00000
      9       2.9298      1.01950
     10       3.4532     -0.01725
     11       4.2109     -0.00000
     12       5.3048     -0.00000
     13       5.3648     -0.00000
     14       6.0267     -0.00000
     15       7.8708     -0.00000
     16       7.9172     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0400      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2022     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3054     -0.00000
     16       7.6628     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0400      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2022     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3051     -0.00000
     16       7.6333     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6744      1.00000
      2      -1.6440      1.00000
      3      -0.7396      1.00000
      4      -0.7047      1.00000
      5       0.3831      1.00000
      6       0.7504      1.00000
      7       1.0399      1.00000
      8       1.7952      1.00000
      9       2.3328      1.00000
     10       2.5975      1.00001
     11       3.9181     -0.00002
     12       5.2022     -0.00000
     13       5.4291     -0.00000
     14       5.6110     -0.00000
     15       7.3051     -0.00000
     16       7.6388     -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
  8.063  13.764  -0.000  -0.002  -0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.764  23.489  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.293 -62.113  -0.000  -0.074   0.000   0.000  -0.024  -0.000
-62.113  33.175   0.000   0.030  -0.000  -0.000   0.014   0.000
 -0.000   0.000   2.118  -0.000   0.000  -0.328   0.000  -0.000
 -0.074   0.030  -0.000   1.655   0.000   0.000  -0.255  -0.000
  0.000  -0.000   0.000   0.000   2.118  -0.000  -0.000  -0.328
  0.000  -0.000  -0.328   0.000  -0.000   0.051  -0.000   0.000
 -0.024   0.014   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    195.6528: real time    196.4050
    FORNL :  cpu time      0.0792: real time      0.0794
    FORCOR:  cpu time      1.1858: real time      1.1885
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.184E-05 0.802E-05 0.183E+03   0.510E-13 0.261E-13 -.182E+03   0.399E-05 -.787E-05 -.123E+01
   -.448E-05 -.125E-04 0.917E+02   -.359E-14 0.897E-14 -.918E+02   0.441E-05 0.133E-04 0.252E+00
   -.853E-05 0.395E-05 -.825E+00   -.143E-12 -.838E-13 0.813E+00   0.114E-04 0.259E-08 0.224E-01
   0.356E-05 -.267E-05 -.932E+02   0.141E-12 0.747E-13 0.931E+02   -.222E-05 0.579E-05 0.479E-01
   0.320E-05 0.127E-04 -.181E+03   -.417E-13 -.226E-13 0.180E+03   -.289E-05 -.134E-04 0.916E+00
 -----------------------------------------------------------------------------------------------
   -.790E-05 0.101E-04 -.129E-01   0.439E-14 0.346E-14 0.000E+00   0.146E-04 -.218E-05 0.708E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000001     -0.085435
      0.00000      0.00000      2.33311        -0.000002     -0.000001      0.126254
      1.42873      0.82488      4.64331         0.000001      0.000003      0.010859
      2.85746      1.64976      6.95763         0.000000      0.000002     -0.015759
      0.00000      0.00000      9.35162        -0.000000     -0.000002     -0.035919
 -----------------------------------------------------------------------------------
    total drift:                                0.000007      0.000008     -0.004924


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88755344 eV

  energy  without entropy=      -13.88757673  energy(sigma->0) =      -13.88756120
 
 d Force = 0.4659526E-03[-0.122E-03, 0.105E-02]  d Energy = 0.4373587E-03 0.286E-04
 d Force =-0.3949591E+00[-0.401E+00,-0.389E+00]  d Ewald  =-0.3949606E+00 0.150E-05


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


    POTLOK:  cpu time      1.1904: real time      1.1932


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




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


    WAVPRE:  cpu time      0.0035: real time      0.1149
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1891: real time      1.1918
    EDDIAG:  cpu time    255.4912: real time    256.4827
    CHARGE:  cpu time      0.1115: real time      0.1119
 writing wavefunctions
     LOOP+:  cpu time   4024.0356: real time   4040.0241


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


    POTLOK:  cpu time      0.4191: real time      0.4205
    SETDIJ:  cpu time      0.7697: real time      0.7711
    TRIAL :  cpu time    253.6736: real time    254.6574
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1131: real time      0.1135
    --------------------------------------------
      LOOP:  cpu time    254.9796: real time    256.0740

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3273576E-03  (-0.1313208E-02)
 number of electron      15.0000000 magnetization       0.0000030
 augmentation part       -0.0011718 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.53760020
  -exchange      EXHF   =        33.32049771
  -V(xc)+E(xc)   XCENC  =       -83.53713580
  PAW double counting   =    101688.89682834  -101587.94327256
  entropy T*S    EENTRO =         0.00000547
  eigenvalues    EBANDS =       -34.62281745
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88722210 eV

  energy without entropy =      -13.88722757  energy(sigma->0) =      -13.88722393
  exchange ACFDT corr.  =        -0.00291189  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7718: real time      0.7732
    TRIAL :  cpu time    253.6962: real time    254.6527
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1119: real time      0.1123
    --------------------------------------------
      LOOP:  cpu time    255.0029: real time    255.9626

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1424119E-03  (-0.1201527E-02)
 number of electron      15.0000000 magnetization       0.0000029
 augmentation part       -0.0011719 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.60440341
  -exchange      EXHF   =        33.32083081
  -V(xc)+E(xc)   XCENC  =       -83.53703385
  PAW double counting   =    101689.94765740  -101588.99413454
  entropy T*S    EENTRO =        -0.00001568
  eigenvalues    EBANDS =       -34.55630816
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88707969 eV

  energy without entropy =      -13.88706401  energy(sigma->0) =      -13.88707447
  exchange ACFDT corr.  =        -0.00289830  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7694: real time      0.7708
    TRIAL :  cpu time    253.8807: real time    254.8383
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1130: real time      0.1134
    --------------------------------------------
      LOOP:  cpu time    255.1856: real time    256.1464

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4208248E-03  (-0.1970043E-04)
 number of electron      15.0000000 magnetization       0.0000027
 augmentation part       -0.0011710 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58903315
  -exchange      EXHF   =        33.32075087
  -V(xc)+E(xc)   XCENC  =       -83.53704400
  PAW double counting   =    101692.70666875  -101591.75311676
  entropy T*S    EENTRO =        -0.00001757
  eigenvalues    EBANDS =       -34.57201714
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88750052 eV

  energy without entropy =      -13.88748294  energy(sigma->0) =      -13.88749466
  exchange ACFDT corr.  =        -0.00290644  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7684: real time      0.7698
    TRIAL :  cpu time    254.2265: real time    255.1923
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1120: real time      0.1124
    --------------------------------------------
      LOOP:  cpu time    255.5297: real time    256.4986

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1652283E-04  (-0.1787000E-03)
 number of electron      15.0000000 magnetization       0.0000025
 augmentation part       -0.0011694 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58608738
  -exchange      EXHF   =        33.32075321
  -V(xc)+E(xc)   XCENC  =       -83.53704030
  PAW double counting   =    101695.33140371  -101594.37786284
  entropy T*S    EENTRO =        -0.00000852
  eigenvalues    EBANDS =       -34.57497247
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88751704 eV

  energy without entropy =      -13.88750852  energy(sigma->0) =      -13.88751420
  exchange ACFDT corr.  =        -0.00290723  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7679: real time      0.7693
    TRIAL :  cpu time    253.2512: real time    254.2081
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    254.5538: real time    255.5139

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2082131E-04  (-0.1714712E-03)
 number of electron      15.0000000 magnetization       0.0000023
 augmentation part       -0.0011682 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.59506333
  -exchange      EXHF   =        33.32079973
  -V(xc)+E(xc)   XCENC  =       -83.53702764
  PAW double counting   =    101698.05151145  -101597.09798336
  entropy T*S    EENTRO =        -0.00001711
  eigenvalues    EBANDS =       -34.56603115
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88749622 eV

  energy without entropy =      -13.88747911  energy(sigma->0) =      -13.88749052
  exchange ACFDT corr.  =        -0.00290405  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7716: real time      0.7730
    TRIAL :  cpu time    253.3713: real time    254.3245
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1124: real time      0.1128
    --------------------------------------------
      LOOP:  cpu time    254.6786: real time    255.6350

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5874222E-04  (-0.3929093E-05)
 number of electron      15.0000000 magnetization       0.0000022
 augmentation part       -0.0011667 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58415554
  -exchange      EXHF   =        33.32071590
  -V(xc)+E(xc)   XCENC  =       -83.53705154
  PAW double counting   =    101701.08388664  -101600.13032623
  entropy T*S    EENTRO =        -0.00001653
  eigenvalues    EBANDS =       -34.57691368
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88755496 eV

  energy without entropy =      -13.88753843  energy(sigma->0) =      -13.88754945
  exchange ACFDT corr.  =        -0.00290782  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7670: real time      0.7684
    TRIAL :  cpu time    253.6042: real time    254.5537
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1130: real time      0.1134
    --------------------------------------------
      LOOP:  cpu time    254.9074: real time    255.8600

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3335957E-05  (-0.2357032E-04)
 number of electron      15.0000000 magnetization       0.0000020
 augmentation part       -0.0011652 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58593821
  -exchange      EXHF   =        33.32069825
  -V(xc)+E(xc)   XCENC  =       -83.53705717
  PAW double counting   =    101703.93763292  -101602.98406999
  entropy T*S    EENTRO =        -0.00001285
  eigenvalues    EBANDS =       -34.57511416
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88755830 eV

  energy without entropy =      -13.88754544  energy(sigma->0) =      -13.88755401
  exchange ACFDT corr.  =        -0.00290798  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7712: real time      0.7726
    TRIAL :  cpu time    254.3126: real time    255.2791
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1122: real time      0.1126
    --------------------------------------------
      LOOP:  cpu time    255.6182: real time    256.5879

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3370188E-05  (-0.2431768E-04)
 number of electron      15.0000000 magnetization       0.0000019
 augmentation part       -0.0011642 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58989637
  -exchange      EXHF   =        33.32070848
  -V(xc)+E(xc)   XCENC  =       -83.53705558
  PAW double counting   =    101706.39094964  -101605.43738331
  entropy T*S    EENTRO =        -0.00001672
  eigenvalues    EBANDS =       -34.57117153
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88755493 eV

  energy without entropy =      -13.88753821  energy(sigma->0) =      -13.88754935
  exchange ACFDT corr.  =        -0.00290682  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7716: real time      0.7729
    TRIAL :  cpu time    254.1968: real time    255.1725
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    254.4463: real time    255.4127
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    509.9504: real time    511.8959

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8202825E-05  (-0.7830348E-06)
 number of electron      15.0000000 magnetization       0.0000017
 augmentation part       -0.0011632 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.95492235
  -Hartree energ DENC   =      -705.58357108
  -exchange      EXHF   =        33.32067846
  -V(xc)+E(xc)   XCENC  =       -83.53706516
  PAW double counting   =    101708.70601614  -101607.75245279
  entropy T*S    EENTRO =        -0.00001690
  eigenvalues    EBANDS =       -34.57745663
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88756313 eV

  energy without entropy =      -13.88754623  energy(sigma->0) =      -13.88755750
  exchange ACFDT corr.  =        -0.00290845  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9856


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7993       2 -69.7000       3 -69.7603       4 -69.7049       5 -69.8197
 
 
 
 E-fermi :   3.2662     XC(G=0):  -5.1134     alpha+bet : -8.9779

 Fermi energy:         3.2661828316

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8686      1.00000
      2      -9.9194      1.00000
      3      -8.5582      1.00000
      4      -6.7028      1.00000
      5      -4.2534      1.00000
      6      -1.5050      1.00000
      7       1.7511      1.00000
      8       4.6626     -0.00000
      9       5.3549     -0.00000
     10       7.9075     -0.00000
     11       8.0004     -0.00000
     12      11.8860      0.00000
     13      12.2012      0.00000
     14      16.0782      0.00000
     15      16.1161      0.00000
     16      16.1789      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6200      0.00000
     16      14.1951      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6201      0.00000
     16      14.2219      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6202      0.00000
     16      14.4330      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.2848      0.00000
     16      12.6314      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.4028      0.00000
     16      12.6398      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.2841      0.00000
     16      12.6292      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7175      0.00000
     15       9.9614      0.00000
     16      11.2123      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7174      0.00000
     15       9.9614      0.00000
     16      10.8700      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7174      0.00000
     15       9.9614      0.00000
     16      10.8700      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8989      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6808     -0.00000
     15       9.9686      0.00000
     16      10.9948      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8989      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6808     -0.00000
     15       9.9678      0.00000
     16      10.9545      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8989      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6808     -0.00000
     15       9.9677      0.00000
     16      10.9099      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7779      0.00000
     15       9.9899      0.00000
     16      10.5002      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7777      0.00000
     15       9.9906      0.00000
     16      10.5058      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7778      0.00000
     15       9.9880      0.00000
     16      10.5054      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9975      0.00000
     13      11.0359      0.00000
     14      11.5539      0.00000
     15      11.7080      0.00000
     16      12.6049      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9974      0.00000
     13      11.0359      0.00000
     14      11.5542      0.00000
     15      11.7097      0.00000
     16      12.5733      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9974      0.00000
     13      11.0360      0.00000
     14      11.5543      0.00000
     15      11.7130      0.00000
     16      12.5914      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2741      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2749      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2753      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2740      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2768      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2742      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6439      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6437      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6437      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6437      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6443      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2022      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6447      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4647     -0.00000
     15       8.9476      0.00000
     16       9.6530      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4621     -0.00000
     15       9.0040      0.00000
     16       9.7085      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9434      0.00000
     16       9.4005      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4624     -0.00000
     15       8.9434      0.00000
     16       9.5352      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9438      0.00000
     16       9.4188      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9434      0.00000
     16       9.3957      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2013      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0084      0.00000
     16       9.3041      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2013      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0083      0.00000
     16       9.2947      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2013      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0083      0.00000
     16       9.2974      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5120     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.4342      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5120     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.4986      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5120     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.4374      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4687     -0.00000
     16       8.8462      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4628     -0.00000
     16       8.8362      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4594     -0.00000
     16       8.8231      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4620     -0.00000
     16       8.8307      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4604     -0.00000
     16       8.8484      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.5537     -0.00000
     16       9.0619      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9224     -0.00000
     16       8.3043     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9207     -0.00000
     16       8.3479     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9202     -0.00000
     16       8.3790     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9207     -0.00000
     16       8.3260     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9215     -0.00000
     16       8.2842     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81846
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9209     -0.00000
     16       8.4020     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8682     -0.00000
     16       7.9638     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8663     -0.00000
     16       7.9148     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8725     -0.00000
     16       7.9150     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3047     -0.00000
     16       7.6324     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3056     -0.00000
     16       7.6782     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3047     -0.00000
     16       7.6530     -0.00000
 Fermi energy:         3.2661828316

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8686      1.00000
      2      -9.9194      1.00000
      3      -8.5582      1.00000
      4      -6.7028      1.00000
      5      -4.2534      1.00000
      6      -1.5050      1.00000
      7       1.7511      1.00000
      8       4.6626     -0.00000
      9       5.3549     -0.00000
     10       7.9075     -0.00000
     11       8.0004     -0.00000
     12      11.8860      0.00000
     13      12.2012      0.00000
     14      16.0814      0.00000
     15      16.1186      0.00000
     16      16.2938      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6201      0.00000
     16      14.2901      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6200      0.00000
     16      14.2106      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.6711      1.00000
      3      -8.3086      1.00000
      4      -6.4514      1.00000
      5      -3.9967      1.00000
      6      -1.2542      1.00000
      7       2.0054      1.00000
      8       4.8807     -0.00000
      9       5.5626     -0.00000
     10       8.1070     -0.00000
     11       8.1961     -0.00000
     12      12.0250      0.00000
     13      12.3016      0.00000
     14      12.8410      0.00000
     15      13.6200      0.00000
     16      14.2350      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.2853      0.00000
     16      12.6543      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.2834      0.00000
     16      12.6290      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8776      1.00000
      2      -8.9259      1.00000
      3      -7.5595      1.00000
      4      -5.6977      1.00000
      5      -3.2295      1.00000
      6      -0.5051      1.00000
      7       2.7414      1.00065
      8       5.5060     -0.00000
      9       6.1766     -0.00000
     10       8.3937     -0.00000
     11       8.7429      0.00000
     12       9.2859      0.00000
     13       9.7490      0.00000
     14      10.8220      0.00000
     15      12.2836      0.00000
     16      12.6284      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7174      0.00000
     15       9.9614      0.00000
     16      10.8702      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7174      0.00000
     15       9.9614      0.00000
     16      10.8700      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6379      1.00000
      2      -7.6824      1.00000
      3      -6.3098      1.00000
      4      -4.4430      1.00000
      5      -1.9634      1.00000
      6       0.7176      1.00000
      7       3.7519     -0.00158
      8       5.0337     -0.00000
      9       5.9866     -0.00000
     10       6.7111     -0.00000
     11       7.1846     -0.00000
     12       7.3367     -0.00000
     13       8.8117      0.00000
     14       9.7174      0.00000
     15       9.9614      0.00000
     16      10.8700      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.8988      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6809     -0.00000
     15       9.9677      0.00000
     16      10.9072      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8988      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6809     -0.00000
     15       9.9678      0.00000
     16      10.9231      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.8988      1.00000
      2      -5.9377      1.00000
      3      -4.5584      1.00000
      4      -2.6971      1.00000
      5      -0.2803      1.00000
      6       1.2148      1.00000
      7       2.1145      1.00000
      8       2.8746      1.00917
      9       3.7894     -0.00068
     10       5.4745     -0.00000
     11       5.7081     -0.00000
     12       7.7220     -0.00000
     13       8.1927     -0.00000
     14       8.6809     -0.00000
     15       9.9677      0.00000
     16      10.9444      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7777      0.00000
     15       9.9916      0.00000
     16      10.5009      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7812      0.00000
     15       9.9955      0.00000
     16      10.4568      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6566      1.00000
      2      -3.6918      1.00000
      3      -2.3261      1.00000
      4      -1.9238      1.00000
      5      -1.0521      1.00000
      6      -0.5192      1.00000
      7       0.5943      1.00000
      8       2.1846      1.00000
      9       2.5919      1.00001
     10       4.6620     -0.00000
     11       4.8740     -0.00000
     12       7.1632     -0.00000
     13       7.6340     -0.00000
     14       9.7778      0.00000
     15       9.9889      0.00000
     16      10.5024      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9974      0.00000
     13      11.0360      0.00000
     14      11.5544      0.00000
     15      11.7098      0.00000
     16      12.5720      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9974      0.00000
     13      11.0359      0.00000
     14      11.5544      0.00000
     15      11.7080      0.00000
     16      12.5806      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1254      1.00000
      2      -9.1743      1.00000
      3      -7.8092      1.00000
      4      -5.9489      1.00000
      5      -3.4848      1.00000
      6      -0.7540      1.00000
      7       2.5015      1.00000
      8       5.3061     -0.00000
      9       5.9747     -0.00000
     10       8.4869     -0.00000
     11       8.5508     -0.00000
     12      10.9974      0.00000
     13      11.0359      0.00000
     14      11.5541      0.00000
     15      11.7093      0.00000
     16      12.5564      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2850      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2826      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5881      0.00000
     15       9.8186      0.00000
     16      10.2765      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8187      0.00000
     16      10.2747      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2741      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1339      1.00000
      2      -8.1801      1.00000
      3      -6.8099      1.00000
      4      -4.9447      1.00000
      5      -2.4675      1.00000
      6       0.2359      1.00000
      7       3.4290      0.00646
      8       5.9994     -0.00000
      9       6.7241     -0.00000
     10       7.3015     -0.00000
     11       7.9368     -0.00000
     12       8.9714      0.00000
     13       9.1759      0.00000
     14       9.5880      0.00000
     15       9.8186      0.00000
     16      10.2746      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6438      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75402
      8       4.2404     -0.00000
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     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6472      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75402
      8       4.2404     -0.00000
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     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6437      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75403
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6442      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75402
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6438      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6445      1.00000
      2      -6.6861      1.00000
      3      -5.3090      1.00000
      4      -3.4427      1.00000
      5      -0.9718      1.00000
      6       1.6256      1.00000
      7       3.2023      0.75402
      8       4.2404     -0.00000
      9       5.1318     -0.00000
     10       5.6213     -0.00000
     11       7.1681     -0.00000
     12       7.5023     -0.00000
     13       8.0392     -0.00000
     14       8.5078     -0.00000
     15       9.0445      0.00000
     16       9.6443      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4621     -0.00000
     15       8.9436      0.00000
     16       9.4213      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4623     -0.00000
     15       8.9474      0.00000
     16       9.6716      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9434      0.00000
     16       9.3967      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9436      0.00000
     16       9.3952      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4620     -0.00000
     15       8.9435      0.00000
     16       9.4303      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6531      1.00000
      2      -4.6894      1.00000
      3      -3.3103      1.00000
      4      -1.4806      1.00000
      5      -0.2314      1.00000
      6       0.4848      1.00000
      7       1.3413      1.00000
      8       2.4277      1.00000
      9       3.7925     -0.00063
     10       4.1037     -0.00000
     11       6.2513     -0.00000
     12       6.7111     -0.00000
     13       7.7256     -0.00000
     14       8.4621     -0.00000
     15       8.9437      0.00000
     16       9.6466      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2012      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0084      0.00000
     16       9.2956      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2012      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0083      0.00000
     16       9.2952      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1743      1.00000
      2      -3.1466      1.00000
      3      -2.2080      1.00000
      4      -2.2013      1.00000
      5      -1.0676      1.00000
      6      -0.6752      1.00000
      7       0.8344      1.00000
      8       1.5921      1.00000
      9       3.5856     -0.02317
     10       3.7359     -0.00221
     11       5.8325     -0.00000
     12       6.2194     -0.00000
     13       7.3946     -0.00000
     14       8.1886     -0.00000
     15       9.0083      0.00000
     16       9.2944      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5120     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.6582      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5121     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.6447      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8928      1.00000
      2      -6.9354      1.00000
      3      -5.5593      1.00000
      4      -3.6926      1.00000
      5      -1.2152      1.00000
      6       1.4353      1.00000
      7       4.3288     -0.00000
      8       5.4826     -0.00000
      9       5.8745     -0.00000
     10       6.5121     -0.00000
     11       6.8126     -0.00000
     12       7.3086     -0.00000
     13       7.7857     -0.00000
     14       7.8883     -0.00000
     15       8.0318     -0.00000
     16       9.4539      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4592     -0.00000
     16       8.8297      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.5057     -0.00000
     16       8.9882      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4724     -0.00000
     16       8.8713      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4589     -0.00000
     16       8.8268      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.4624     -0.00000
     16       8.9682      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1506      1.00000
      2      -5.1890      1.00000
      3      -3.8081      1.00000
      4      -1.9559      1.00000
      5       0.4341      1.00000
      6       1.9414      1.00000
      7       2.7922      1.00204
      8       3.5313     -0.03407
      9       4.4519     -0.00000
     10       4.6303     -0.00000
     11       5.5120     -0.00000
     12       6.0760     -0.00000
     13       6.6468     -0.00000
     14       7.1739     -0.00000
     15       8.5165     -0.00000
     16       8.8871      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9200     -0.00000
     16       8.2895     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9200     -0.00000
     16       8.3412     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9198     -0.00000
     16       8.3007     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9202     -0.00000
     16       8.4080     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9202     -0.00000
     16       8.3464     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9042      1.00000
      2      -2.9440      1.00000
      3      -1.5838      1.00000
      4      -1.1722      1.00000
      5      -0.3197      1.00000
      6       0.1982      1.00000
      7       1.3208      1.00000
      8       2.8098      1.00291
      9       3.1835      0.81845
     10       4.1083     -0.00000
     11       4.8360     -0.00000
     12       5.6165     -0.00000
     13       5.8967     -0.00000
     14       6.7926     -0.00000
     15       7.9246     -0.00000
     16       8.3598     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8685     -0.00000
     16       7.9317     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8560     -0.00000
     16       7.9168     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1521      1.00000
      2      -3.1920      1.00000
      3      -1.8200      1.00000
      4      -0.0487      1.00000
      5       1.2401      1.00000
      6       1.2497      1.00000
      7       1.7713      1.00000
      8       2.1938      1.00000
      9       2.9291      1.01927
     10       3.4530     -0.01650
     11       4.2107     -0.00000
     12       5.3048     -0.00000
     13       5.3654     -0.00000
     14       6.0275     -0.00000
     15       7.8678     -0.00000
     16       7.9161     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3051     -0.00000
     16       7.6598     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3049     -0.00000
     16       7.6329     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6741      1.00000
      2      -1.6434      1.00000
      3      -0.7404      1.00000
      4      -0.7061      1.00000
      5       0.3829      1.00000
      6       0.7502      1.00000
      7       1.0404      1.00000
      8       1.7946      1.00000
      9       2.3330      1.00000
     10       2.5978      1.00001
     11       3.9184     -0.00002
     12       5.2023     -0.00000
     13       5.4290     -0.00000
     14       5.6114     -0.00000
     15       7.3049     -0.00000
     16       7.6379     -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
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.489   0.000  -0.003  -0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881   0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.285 -62.108  -0.000  -0.073   0.000   0.000  -0.024  -0.000
-62.108  33.173   0.000   0.030  -0.000  -0.000   0.014   0.000
 -0.000   0.000   2.118  -0.000  -0.000  -0.328   0.000   0.000
 -0.073   0.030  -0.000   1.655   0.000   0.000  -0.254  -0.000
  0.000  -0.000  -0.000   0.000   2.118   0.000  -0.000  -0.328
  0.000  -0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.024   0.014   0.000  -0.254  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    195.5779: real time    196.2707
    FORNL :  cpu time      0.0792: real time      0.0795
    FORCOR:  cpu time      1.1885: real time      1.1914
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.101E-04 -.174E-05 0.183E+03   0.506E-13 0.259E-13 -.182E+03   0.113E-04 0.203E-05 -.123E+01
   0.165E-05 -.211E-05 0.917E+02   -.252E-14 0.257E-14 -.918E+02   -.243E-05 0.167E-05 0.259E+00
   0.393E-05 -.169E-05 -.738E+00   -.138E-12 -.870E-13 0.745E+00   -.706E-05 0.276E-05 0.112E-02
   0.269E-05 -.817E-07 -.931E+02   0.138E-12 0.871E-13 0.931E+02   -.400E-05 -.129E-05 0.450E-01
   -.986E-05 -.262E-06 -.181E+03   -.437E-13 -.252E-13 0.180E+03   0.109E-04 0.380E-06 0.920E+00
 -----------------------------------------------------------------------------------------------
   -.127E-04 -.646E-05 0.190E-01   0.439E-14 0.346E-14 0.000E+00   0.865E-05 0.555E-05 -.717E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.090243
      0.00000      0.00000      2.33311        -0.000000     -0.000001      0.134654
      1.42873      0.82488      4.64503        -0.000003      0.000001      0.005746
      2.85746      1.64976      6.95836         0.000000     -0.000001     -0.012877
      0.00000      0.00000      9.35147         0.000001      0.000000     -0.037280
 -----------------------------------------------------------------------------------
    total drift:                               -0.000004     -0.000001      0.012005


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88756313 eV

  energy  without entropy=      -13.88754623  energy(sigma->0) =      -13.88755750
 
 d Force = 0.9456383E-05[ 0.622E-05, 0.127E-04]  d Energy = 0.9690139E-05-0.234E-06
 d Force = 0.4160928E-01[ 0.415E-01, 0.417E-01]  d Ewald  = 0.4160928E-01-0.173E-08


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


    POTLOK:  cpu time      1.1908: real time      1.1938


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0469
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0572: real time      0.0574
    POTLOK:  cpu time      1.1910: real time      1.1940
    EDDIAG:  cpu time    254.6596: real time    255.6586
    CHARGE:  cpu time      0.1127: real time      0.1132
 writing wavefunctions
     LOOP+:  cpu time   3005.0410: real time   3016.7497


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


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7717: real time      0.7731
    TRIAL :  cpu time    254.3155: real time    255.2710
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    255.6242: real time    256.6678

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5055151E-03  (-0.1686186E-02)
 number of electron      15.0000000 magnetization       0.0000011
 augmentation part       -0.0011452 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.30057714
  -exchange      EXHF   =        33.32396444
  -V(xc)+E(xc)   XCENC  =       -83.53603288
  PAW double counting   =    101714.16092311  -101613.20770724
  entropy T*S    EENTRO =         0.00015724
  eigenvalues    EBANDS =       -34.75589766
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88704941 eV

  energy without entropy =      -13.88720666  energy(sigma->0) =      -13.88710183
  exchange ACFDT corr.  =        -0.00282871  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7736: real time      0.7751
    TRIAL :  cpu time    253.8751: real time    254.8190
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    255.1850: real time    256.1323

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8567824E-04  (-0.1530969E-02)
 number of electron      15.0000000 magnetization       0.0000010
 augmentation part       -0.0011422 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.40688339
  -exchange      EXHF   =        33.32465720
  -V(xc)+E(xc)   XCENC  =       -83.53578172
  PAW double counting   =    101717.07658113  -101616.12333687
  entropy T*S    EENTRO =         0.00019170
  eigenvalues    EBANDS =       -34.65047321
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88696373 eV

  energy without entropy =      -13.88715544  energy(sigma->0) =      -13.88702763
  exchange ACFDT corr.  =        -0.00282821  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7706: real time      0.7719
    TRIAL :  cpu time    254.0376: real time    255.0222
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    255.3446: real time    256.3323

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5741756E-03  (-0.7462109E-04)
 number of electron      15.0000000 magnetization       0.0000009
 augmentation part       -0.0011389 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.51411075
  -exchange      EXHF   =        33.32555475
  -V(xc)+E(xc)   XCENC  =       -83.53548970
  PAW double counting   =    101719.12511045  -101618.17192082
  entropy T*S    EENTRO =         0.00018385
  eigenvalues    EBANDS =       -34.54498942
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88753791 eV

  energy without entropy =      -13.88772176  energy(sigma->0) =      -13.88759919
  exchange ACFDT corr.  =        -0.00281214  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7726: real time      0.7739
    TRIAL :  cpu time    252.8450: real time    253.8110
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    254.1541: real time    255.1233

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6076086E-04  (-0.2452550E-03)
 number of electron      15.0000000 magnetization       0.0000009
 augmentation part       -0.0011363 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.49436745
  -exchange      EXHF   =        33.32581885
  -V(xc)+E(xc)   XCENC  =       -83.53540306
  PAW double counting   =    101720.68533334  -101619.73214064
  entropy T*S    EENTRO =         0.00016535
  eigenvalues    EBANDS =       -34.56513945
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88759867 eV

  energy without entropy =      -13.88776402  energy(sigma->0) =      -13.88765379
  exchange ACFDT corr.  =        -0.00281320  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7678: real time      0.7692
    TRIAL :  cpu time    253.2692: real time    254.2300
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1131: real time      0.1135
    --------------------------------------------
      LOOP:  cpu time    254.5739: real time    255.5379

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1697781E-05  (-0.2240645E-03)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0011339 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.45125189
  -exchange      EXHF   =        33.32577124
  -V(xc)+E(xc)   XCENC  =       -83.53541730
  PAW double counting   =    101721.40344911  -101620.45021799
  entropy T*S    EENTRO =         0.00017707
  eigenvalues    EBANDS =       -34.60821138
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88759697 eV

  energy without entropy =      -13.88777405  energy(sigma->0) =      -13.88765600
  exchange ACFDT corr.  =        -0.00281933  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4218
    SETDIJ:  cpu time      0.7717: real time      0.7731
    TRIAL :  cpu time    254.1222: real time    255.0935
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    255.4300: real time    256.4046

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8597627E-04  (-0.1529081E-04)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0011322 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.46779586
  -exchange      EXHF   =        33.32582226
  -V(xc)+E(xc)   XCENC  =       -83.53540821
  PAW double counting   =    101721.10688669  -101620.15362456
  entropy T*S    EENTRO =         0.00018150
  eigenvalues    EBANDS =       -34.59185624
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88768295 eV

  energy without entropy =      -13.88786445  energy(sigma->0) =      -13.88774345
  exchange ACFDT corr.  =        -0.00281508  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7709: real time      0.7723
    TRIAL :  cpu time    254.0667: real time    255.0272
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1127: real time      0.1130
    --------------------------------------------
      LOOP:  cpu time    255.3736: real time    256.3373

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1262535E-04  (-0.3527141E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0011311 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.47806832
  -exchange      EXHF   =        33.32577376
  -V(xc)+E(xc)   XCENC  =       -83.53542526
  PAW double counting   =    101720.68431104  -101619.73101208
  entropy T*S    EENTRO =         0.00017774
  eigenvalues    EBANDS =       -34.58157210
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88769557 eV

  energy without entropy =      -13.88787331  energy(sigma->0) =      -13.88775482
  exchange ACFDT corr.  =        -0.00281384  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7709: real time      0.7723
    TRIAL :  cpu time    253.6480: real time    254.6015
    CORREC:  cpu time      0.0020: real time      0.0021
    CHARGE:  cpu time      0.1126: real time      0.1130
    --------------------------------------------
      LOOP:  cpu time    254.9543: real time    255.9110

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1409032E-05  (-0.3378708E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0011300 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.46534846
  -exchange      EXHF   =        33.32566275
  -V(xc)+E(xc)   XCENC  =       -83.53546086
  PAW double counting   =    101720.22363033  -101619.27028935
  entropy T*S    EENTRO =         0.00017989
  eigenvalues    EBANDS =       -34.59418501
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88769698 eV

  energy without entropy =      -13.88787687  energy(sigma->0) =      -13.88775694
  exchange ACFDT corr.  =        -0.00281542  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4218
    SETDIJ:  cpu time      0.7678: real time      0.7694
    TRIAL :  cpu time    253.7168: real time    254.6613
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1130: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    255.0205: real time    255.9682

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1364310E-04  (-0.3829339E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0011293 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.45640640
  -exchange      EXHF   =        33.32562758
  -V(xc)+E(xc)   XCENC  =       -83.53547533
  PAW double counting   =    101719.78334625  -101618.83001929
  entropy T*S    EENTRO =         0.00018019
  eigenvalues    EBANDS =       -34.60307921
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88771063 eV

  energy without entropy =      -13.88789082  energy(sigma->0) =      -13.88777069
  exchange ACFDT corr.  =        -0.00281447  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4197: real time      0.4211
    SETDIJ:  cpu time      0.7685: real time      0.7698
    TRIAL :  cpu time    254.4480: real time    255.4388
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    254.6250: real time    255.6088
    CHARGE:  cpu time      0.1127: real time      0.1131
    --------------------------------------------
      LOOP:  cpu time    510.3766: real time    512.3543

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3382162E-05  (-0.6014794E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0011286 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.84673164
  -Hartree energ DENC   =      -706.45330114
  -exchange      EXHF   =        33.32565966
  -V(xc)+E(xc)   XCENC  =       -83.53547596
  PAW double counting   =    101719.56170980  -101618.60839402
  entropy T*S    EENTRO =         0.00018079
  eigenvalues    EBANDS =       -34.60617779
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88771401 eV

  energy without entropy =      -13.88789480  energy(sigma->0) =      -13.88777427
  exchange ACFDT corr.  =        -0.00281409  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.8997


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7865       2 -69.6910       3 -69.7602       4 -69.7150       5 -69.8334
 
 
 
 E-fermi :   3.2647     XC(G=0):  -5.1127     alpha+bet : -8.9779

 Fermi energy:         3.2646827191

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8721      1.00000
      2      -9.9226      1.00000
      3      -8.5607      1.00000
      4      -6.7037      1.00000
      5      -4.2511      1.00000
      6      -1.5047      1.00000
      7       1.7548      1.00000
      8       4.6658     -0.00000
      9       5.3568     -0.00000
     10       7.9087     -0.00000
     11       8.0025     -0.00000
     12      11.8869      0.00000
     13      12.2030      0.00000
     14      16.0740      0.00000
     15      16.1040      0.00000
     16      16.1501      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6175      0.00000
     16      14.1906      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6175      0.00000
     16      14.2116      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6175      0.00000
     16      14.4173      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.2835      0.00000
     16      12.6305      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.3829      0.00000
     16      12.6375      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.2830      0.00000
     16      12.6291      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7189      0.00000
     15       9.9633      0.00000
     16      11.1688      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7188      0.00000
     15       9.9633      0.00000
     16      10.8713      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7188      0.00000
     15       9.9633      0.00000
     16      10.8714      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9684      0.00000
     16      10.9783      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9679      0.00000
     16      10.9486      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9678      0.00000
     16      10.9041      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7808      0.00000
     15       9.9901      0.00000
     16      10.5012      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7807      0.00000
     15       9.9907      0.00000
     16      10.5075      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7807      0.00000
     15       9.9887      0.00000
     16      10.5071      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9943      0.00000
     13      11.0327      0.00000
     14      11.5504      0.00000
     15      11.7057      0.00000
     16      12.6037      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9942      0.00000
     13      11.0327      0.00000
     14      11.5506      0.00000
     15      11.7069      0.00000
     16      12.5708      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9942      0.00000
     13      11.0327      0.00000
     14      11.5507      0.00000
     15      11.7091      0.00000
     16      12.5878      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4322      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2712      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4322      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5896      0.00000
     15       9.8173      0.00000
     16      10.2720      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4322      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2722      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4322      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2712      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4322      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2733      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2713      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76215
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6443      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6442      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76215
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6443      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76215
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6443      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76215
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6445      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6447      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4628     -0.00000
     15       8.9458      0.00000
     16       9.6439      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4613     -0.00000
     15       8.9798      0.00000
     16       9.7054      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.3995      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4614     -0.00000
     15       8.9431      0.00000
     16       9.5051      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.4087      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.3962      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1780      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0111      0.00000
     16       9.3035      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1780      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0109      0.00000
     16       9.2955      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1780      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0110      0.00000
     16       9.2981      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.4286      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.4835      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.4311      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4669     -0.00000
     16       8.8425      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4624     -0.00000
     16       8.8349      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4596     -0.00000
     16       8.8237      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4601     -0.00000
     16       8.8292      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4607     -0.00000
     16       8.8442      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.5403     -0.00000
     16       9.0113      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81479
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9220     -0.00000
     16       8.2998     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81481
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9207     -0.00000
     16       8.3460     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81481
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9204     -0.00000
     16       8.3774     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81479
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9207     -0.00000
     16       8.3224     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81480
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9210     -0.00000
     16       8.2836     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81481
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9210     -0.00000
     16       8.4004     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01940
     10       3.4495     -0.01595
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8688     -0.00000
     16       7.9446     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01940
     10       3.4495     -0.01596
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8662     -0.00000
     16       7.9168     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01940
     10       3.4495     -0.01595
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8717     -0.00000
     16       7.9169     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3049     -0.00000
     16       7.6329     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3056     -0.00000
     16       7.6750     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3050     -0.00000
     16       7.6509     -0.00000
 Fermi energy:         3.2646827191

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8721      1.00000
      2      -9.9226      1.00000
      3      -8.5607      1.00000
      4      -6.7037      1.00000
      5      -4.2511      1.00000
      6      -1.5047      1.00000
      7       1.7548      1.00000
      8       4.6658     -0.00000
      9       5.3568     -0.00000
     10       7.9087     -0.00000
     11       8.0025     -0.00000
     12      11.8869      0.00000
     13      12.2030      0.00000
     14      16.0770      0.00000
     15      16.1056      0.00000
     16      16.2654      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6176      0.00000
     16      14.2673      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6175      0.00000
     16      14.2028      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.6743      1.00000
      3      -8.3111      1.00000
      4      -6.4523      1.00000
      5      -3.9944      1.00000
      6      -1.2538      1.00000
      7       2.0091      1.00000
      8       4.8838     -0.00000
      9       5.5645     -0.00000
     10       8.1082     -0.00000
     11       8.1982     -0.00000
     12      12.0254      0.00000
     13      12.3029      0.00000
     14      12.8382      0.00000
     15      13.6175      0.00000
     16      14.2213      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.2841      0.00000
     16      12.6475      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.2824      0.00000
     16      12.6290      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8812      1.00000
      2      -8.9290      1.00000
      3      -7.5620      1.00000
      4      -5.6986      1.00000
      5      -3.2272      1.00000
      6      -0.5048      1.00000
      7       2.7450      1.00074
      8       5.5089     -0.00000
      9       6.1784     -0.00000
     10       8.3927     -0.00000
     11       8.7444      0.00000
     12       9.2848      0.00000
     13       9.7461      0.00000
     14      10.8194      0.00000
     15      12.2826      0.00000
     16      12.6286      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7188      0.00000
     15       9.9633      0.00000
     16      10.8714      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7188      0.00000
     15       9.9633      0.00000
     16      10.8713      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6415      1.00000
      2      -7.6857      1.00000
      3      -6.3124      1.00000
      4      -4.4440      1.00000
      5      -1.9612      1.00000
      6       0.7179      1.00000
      7       3.7538     -0.00147
      8       5.0313     -0.00000
      9       5.9838     -0.00000
     10       6.7128     -0.00000
     11       7.1846     -0.00000
     12       7.3366     -0.00000
     13       8.8106      0.00000
     14       9.7188      0.00000
     15       9.9633      0.00000
     16      10.8714      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9678      0.00000
     16      10.9017      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9679      0.00000
     16      10.9191      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9025      1.00000
      2      -5.9409      1.00000
      3      -4.5610      1.00000
      4      -2.6982      1.00000
      5      -0.2785      1.00000
      6       1.2110      1.00000
      7       2.1122      1.00000
      8       2.8738      1.00925
      9       3.7868     -0.00069
     10       5.4737     -0.00000
     11       5.7111     -0.00000
     12       7.7239     -0.00000
     13       8.1957     -0.00000
     14       8.6826     -0.00000
     15       9.9679      0.00000
     16      10.9435      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7807      0.00000
     15       9.9914      0.00000
     16      10.5018      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7830      0.00000
     15       9.9939      0.00000
     16      10.4530      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6604      1.00000
      2      -3.6951      1.00000
      3      -2.3289      1.00000
      4      -1.9278      1.00000
      5      -1.0554      1.00000
      6      -0.5209      1.00000
      7       0.5921      1.00000
      8       2.1854      1.00000
      9       2.5921      1.00001
     10       4.6625     -0.00000
     11       4.8758     -0.00000
     12       7.1635     -0.00000
     13       7.6371     -0.00000
     14       9.7807      0.00000
     15       9.9894      0.00000
     16      10.5038      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9942      0.00000
     13      11.0327      0.00000
     14      11.5507      0.00000
     15      11.7069      0.00000
     16      12.5695      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9942      0.00000
     13      11.0327      0.00000
     14      11.5507      0.00000
     15      11.7058      0.00000
     16      12.5804      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1289      1.00000
      2      -9.1775      1.00000
      3      -7.8118      1.00000
      4      -5.9498      1.00000
      5      -3.4825      1.00000
      6      -0.7537      1.00000
      7       2.5051      1.00000
      8       5.3092     -0.00000
      9       5.9765     -0.00000
     10       8.4879     -0.00000
     11       8.5526     -0.00000
     12      10.9942      0.00000
     13      11.0327      0.00000
     14      11.5506      0.00000
     15      11.7066      0.00000
     16      12.5533      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2790      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00089
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2773      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2731      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00090
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2718      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
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      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2713      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1375      1.00000
      2      -8.1833      1.00000
      3      -6.8125      1.00000
      4      -4.9456      1.00000
      5      -2.4653      1.00000
      6       0.2362      1.00000
      7       3.4323      0.00089
      8       6.0013     -0.00000
      9       6.7253     -0.00000
     10       7.2996     -0.00000
     11       7.9338     -0.00000
     12       8.9697      0.00000
     13       9.1742      0.00000
     14       9.5895      0.00000
     15       9.8173      0.00000
     16      10.2718      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6444      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6462      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6443      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6444      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6443      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6482      1.00000
      2      -6.6893      1.00000
      3      -5.3116      1.00000
      4      -3.4437      1.00000
      5      -0.9697      1.00000
      6       1.6255      1.00000
      7       3.1986      0.76214
      8       4.2379     -0.00000
      9       5.1338     -0.00000
     10       5.6190     -0.00000
     11       7.1676     -0.00000
     12       7.5032     -0.00000
     13       8.0407     -0.00000
     14       8.5060     -0.00000
     15       9.0428      0.00000
     16       9.6448      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4613     -0.00000
     15       8.9431      0.00000
     16       9.4129      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4614     -0.00000
     15       8.9455      0.00000
     16       9.6625      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.3973      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.3960      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4612     -0.00000
     15       8.9431      0.00000
     16       9.4172      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6569      1.00000
      2      -4.6927      1.00000
      3      -3.3131      1.00000
      4      -1.4818      1.00000
      5      -0.2353      1.00000
      6       0.4830      1.00000
      7       1.3409      1.00000
      8       2.4258      1.00000
      9       3.7926     -0.00060
     10       4.1027     -0.00000
     11       6.2526     -0.00000
     12       6.7133     -0.00000
     13       7.7235     -0.00000
     14       8.4613     -0.00000
     15       8.9432      0.00000
     16       9.6378      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1780      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0111      0.00000
     16       9.2962      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1779      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0110      0.00000
     16       9.2961      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1780      1.00000
      2      -3.1508      1.00000
      3      -2.2110      1.00000
      4      -2.2049      1.00000
      5      -1.0709      1.00000
      6      -0.6777      1.00000
      7       0.8331      1.00000
      8       1.5914      1.00000
      9       3.5874     -0.02241
     10       3.7381     -0.00205
     11       5.8322     -0.00000
     12       6.2199     -0.00000
     13       7.3917     -0.00000
     14       8.1875     -0.00000
     15       9.0110      0.00000
     16       9.2953      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.6298      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.6221      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8964      1.00000
      2      -6.9387      1.00000
      3      -5.5620      1.00000
      4      -3.6936      1.00000
      5      -1.2130      1.00000
      6       1.4355      1.00000
      7       4.3300     -0.00000
      8       5.4794     -0.00000
      9       5.8721     -0.00000
     10       6.5086     -0.00000
     11       6.8109     -0.00000
     12       7.3080     -0.00000
     13       7.7849     -0.00000
     14       7.8900     -0.00000
     15       8.0298     -0.00000
     16       9.4440      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4595     -0.00000
     16       8.8294      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4906     -0.00000
     16       8.9183      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4701     -0.00000
     16       8.8637      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4593     -0.00000
     16       8.8269      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4623     -0.00000
     16       8.9566      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1543      1.00000
      2      -5.1923      1.00000
      3      -3.8108      1.00000
      4      -1.9569      1.00000
      5       0.4358      1.00000
      6       1.9377      1.00000
      7       2.7899      1.00201
      8       3.5301     -0.03404
      9       4.4493     -0.00000
     10       4.6271     -0.00000
     11       5.5093     -0.00000
     12       6.0748     -0.00000
     13       6.6489     -0.00000
     14       7.1726     -0.00000
     15       8.4713     -0.00000
     16       8.8479      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81480
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9203     -0.00000
     16       8.2888     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81481
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9202     -0.00000
     16       8.3343     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81479
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9202     -0.00000
     16       8.2967     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81480
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9205     -0.00000
     16       8.4061     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81479
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9204     -0.00000
     16       8.3445     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9079      1.00000
      2      -2.9473      1.00000
      3      -1.5866      1.00000
      4      -1.1761      1.00000
      5      -0.3230      1.00000
      6       0.1965      1.00000
      7       1.3186      1.00000
      8       2.8106      1.00304
      9       3.1830      0.81481
     10       4.1050     -0.00000
     11       4.8346     -0.00000
     12       5.6170     -0.00000
     13       5.8964     -0.00000
     14       6.7909     -0.00000
     15       7.9240     -0.00000
     16       8.3520     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01941
     10       3.4495     -0.01596
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8687     -0.00000
     16       7.9273     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01941
     10       3.4495     -0.01596
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8582     -0.00000
     16       7.9181     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1559      1.00000
      2      -3.1954      1.00000
      3      -1.8228      1.00000
      4      -0.0499      1.00000
      5       1.2365      1.00000
      6       1.2462      1.00000
      7       1.7692      1.00000
      8       2.1903      1.00000
      9       2.9286      1.01940
     10       3.4495     -0.01596
     11       4.2098     -0.00000
     12       5.3051     -0.00000
     13       5.3644     -0.00000
     14       6.0269     -0.00000
     15       7.8679     -0.00000
     16       7.9175     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3053     -0.00000
     16       7.6573     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3051     -0.00000
     16       7.6333     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6777      1.00000
      2      -1.6475      1.00000
      3      -0.7439      1.00000
      4      -0.7092      1.00000
      5       0.3795      1.00000
      6       0.7476      1.00000
      7       1.0368      1.00000
      8       1.7911      1.00000
      9       2.3319      1.00000
     10       2.5959      1.00001
     11       3.9170     -0.00002
     12       5.2036     -0.00000
     13       5.4307     -0.00000
     14       5.6118     -0.00000
     15       7.3051     -0.00000
     16       7.6379     -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
  8.063  13.763  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.763  23.488  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.763   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.763  23.488   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.281 -62.106  -0.000  -0.074  -0.000   0.000  -0.024   0.000
-62.106  33.172   0.000   0.030   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.118   0.000   0.000  -0.328  -0.000  -0.000
 -0.074   0.030   0.000   1.655   0.000  -0.000  -0.255  -0.000
 -0.000   0.000   0.000   0.000   2.118  -0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000  -0.000   0.051   0.000   0.000
 -0.024   0.014  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    196.9505: real time    197.7042
    FORNL :  cpu time      0.0790: real time      0.0792
    FORCOR:  cpu time      1.1874: real time      1.1902
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.532E-05 -.391E-06 0.183E+03   0.506E-13 0.261E-13 -.182E+03   0.573E-05 -.361E-08 -.123E+01
   0.237E-05 -.278E-05 0.918E+02   0.523E-14 0.545E-14 -.919E+02   -.208E-05 0.364E-05 0.254E+00
   -.395E-06 0.593E-06 -.729E+00   -.153E-12 -.809E-13 0.738E+00   -.350E-07 -.602E-07 0.725E-02
   -.358E-05 -.641E-05 -.932E+02   0.142E-12 0.725E-13 0.931E+02   0.518E-05 0.116E-04 0.450E-01
   0.487E-05 -.134E-06 -.181E+03   -.410E-13 -.196E-13 0.180E+03   -.465E-05 -.437E-06 0.933E+00
 -----------------------------------------------------------------------------------------------
   -.277E-05 -.101E-04 0.207E-01   0.439E-14 0.346E-14 0.284E-13   0.414E-05 0.147E-04 0.790E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000002     -0.094159
      0.00000      0.00000      2.33311        -0.000000     -0.000000      0.130106
      1.42873      0.82488      4.64364        -0.000001     -0.000001      0.010243
      2.85746      1.64976      6.95614         0.000002      0.000004     -0.013237
      0.00000      0.00000      9.34768         0.000000     -0.000002     -0.032953
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000005      0.030176


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88771401 eV

  energy  without entropy=      -13.88789480  energy(sigma->0) =      -13.88777427
 
 d Force = 0.1511318E-03[ 0.140E-03, 0.162E-03]  d Energy = 0.1508784E-03 0.253E-06
 d Force =-0.8918093E+00[-0.892E+00,-0.892E+00]  d Ewald  =-0.8918093E+00 0.316E-08


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


    POTLOK:  cpu time      1.1885: real time      1.1913


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000151  1 .order   -0.000151   -0.000162   -0.000140
  (g-gl).g = 0.803E-04      g.g   = 0.766E-04  gl.gl    = 0.375E-03
 g(Force)  = 0.766E-04   g(Stress)= 0.000E+00 ortho     =-0.153E-04
 gamma     =   0.21404
 trial     =   2.20868
 opt step  =   8.83470  (harmonic =  16.39339) maximal distance =0.00000000
 next E    =   -13.888165   (d E  =  -0.00060)


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


    WAVPRE:  cpu time      0.0036: real time      0.0520
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0574: real time      0.0576
    POTLOK:  cpu time      1.1899: real time      1.1927
    EDDIAG:  cpu time    255.1876: real time    256.1591
    CHARGE:  cpu time      0.1125: real time      0.1129
 writing wavefunctions
     LOOP+:  cpu time   3262.5823: real time   3275.3000


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


    POTLOK:  cpu time      0.4193: real time      0.4207
    SETDIJ:  cpu time      0.7697: real time      0.7710
    TRIAL :  cpu time    254.2328: real time    255.1972
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    255.5392: real time    256.6045

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3281817E-02  (-0.4194522E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0011113 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -708.54328917
  -exchange      EXHF   =        33.33515539
  -V(xc)+E(xc)   XCENC  =       -83.53246512
  PAW double counting   =    101675.77452747  -101574.82212069
  entropy T*S    EENTRO =         0.00069866
  eigenvalues    EBANDS =       -35.20405102
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88442881 eV

  energy without entropy =      -13.88512747  energy(sigma->0) =      -13.88466170
  exchange ACFDT corr.  =        -0.00261873  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7736: real time      0.7750
    TRIAL :  cpu time    254.2886: real time    255.2447
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1136
    --------------------------------------------
      LOOP:  cpu time    255.5983: real time    256.5576

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6658356E-03  (-0.3721688E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0011006 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -708.96186177
  -exchange      EXHF   =        33.33769258
  -V(xc)+E(xc)   XCENC  =       -83.53158068
  PAW double counting   =    101679.74911313  -101578.79674614
  entropy T*S    EENTRO =         0.00075613
  eigenvalues    EBANDS =       -34.78956345
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88509464 eV

  energy without entropy =      -13.88585077  energy(sigma->0) =      -13.88534669
  exchange ACFDT corr.  =        -0.00260977  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7703: real time      0.7717
    TRIAL :  cpu time    254.0735: real time    255.0372
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    255.3792: real time    256.3460

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1725231E-02  (-0.6524228E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0010872 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.24408799
  -exchange      EXHF   =        33.34015591
  -V(xc)+E(xc)   XCENC  =       -83.53076003
  PAW double counting   =    101681.81610085  -101580.86376569
  entropy T*S    EENTRO =         0.00072846
  eigenvalues    EBANDS =       -34.51237207
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88681988 eV

  energy without entropy =      -13.88754833  energy(sigma->0) =      -13.88706270
  exchange ACFDT corr.  =        -0.00267167  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7725: real time      0.7739
    TRIAL :  cpu time    253.4113: real time    254.3720
    CORREC:  cpu time      0.0021: real time      0.0022
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    254.7194: real time    255.6834

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5196565E-03  (-0.7175720E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010750 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.17825139
  -exchange      EXHF   =        33.34096145
  -V(xc)+E(xc)   XCENC  =       -83.53049160
  PAW double counting   =    101684.31436009  -101583.36195220
  entropy T*S    EENTRO =         0.00069115
  eigenvalues    EBANDS =       -34.57984735
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88733953 eV

  energy without entropy =      -13.88803068  energy(sigma->0) =      -13.88756991
  exchange ACFDT corr.  =        -0.00258474  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4194: real time      0.4208
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    253.5265: real time    254.4865
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    254.8299: real time    255.7931

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2067650E-03  (-0.5950911E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0010645 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.06700769
  -exchange      EXHF   =        33.34096110
  -V(xc)+E(xc)   XCENC  =       -83.53049675
  PAW double counting   =    101686.43351424  -101585.48101693
  entropy T*S    EENTRO =         0.00070836
  eigenvalues    EBANDS =       -34.69134442
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88754630 eV

  energy without entropy =      -13.88825465  energy(sigma->0) =      -13.88778242
  exchange ACFDT corr.  =        -0.00259379  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7735: real time      0.7749
    TRIAL :  cpu time    253.2791: real time    254.2409
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    254.5876: real time    255.5526

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2980226E-03  (-0.1341804E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0010568 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.09564113
  -exchange      EXHF   =        33.34100166
  -V(xc)+E(xc)   XCENC  =       -83.53050112
  PAW double counting   =    101687.79667009  -101586.84417524
  entropy T*S    EENTRO =         0.00072097
  eigenvalues    EBANDS =       -34.66305995
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88784432 eV

  energy without entropy =      -13.88856529  energy(sigma->0) =      -13.88808464
  exchange ACFDT corr.  =        -0.00270054  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7718: real time      0.7732
    TRIAL :  cpu time    253.9104: real time    254.8768
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    255.2185: real time    256.1882

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1082532E-03  (-0.1211419E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0010509 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.13127992
  -exchange      EXHF   =        33.34086139
  -V(xc)+E(xc)   XCENC  =       -83.53055662
  PAW double counting   =    101688.62004966  -101587.66745697
  entropy T*S    EENTRO =         0.00071693
  eigenvalues    EBANDS =       -34.62744409
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88795257 eV

  energy without entropy =      -13.88866951  energy(sigma->0) =      -13.88819155
  exchange ACFDT corr.  =        -0.00258391  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4211
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    254.2003: real time    255.1602
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1133: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    255.5043: real time    256.4673

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5030491E-04  (-0.1034516E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0010463 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.10527303
  -exchange      EXHF   =        33.34058388
  -V(xc)+E(xc)   XCENC  =       -83.53065570
  PAW double counting   =    101689.27488572  -101588.32227757
  entropy T*S    EENTRO =         0.00071612
  eigenvalues    EBANDS =       -34.65313613
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88800288 eV

  energy without entropy =      -13.88871899  energy(sigma->0) =      -13.88824158
  exchange ACFDT corr.  =        -0.00258605  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7716: real time      0.7730
    TRIAL :  cpu time    253.8828: real time    254.8396
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    255.1906: real time    256.1505

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5774366E-04  (-0.3248967E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0010430 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.06909788
  -exchange      EXHF   =        33.34043018
  -V(xc)+E(xc)   XCENC  =       -83.53071762
  PAW double counting   =    101689.99611794  -101589.04354015
  entropy T*S    EENTRO =         0.00071554
  eigenvalues    EBANDS =       -34.68912222
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88806062 eV

  energy without entropy =      -13.88877616  energy(sigma->0) =      -13.88829913
  exchange ACFDT corr.  =        -0.00258609  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7712: real time      0.7726
    TRIAL :  cpu time    254.1952: real time    255.1457
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1129: real time      0.1133
    --------------------------------------------
      LOOP:  cpu time    255.5019: real time    256.4555

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2800324E-04  (-0.2635883E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0010401 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.05881989
  -exchange      EXHF   =        33.34042943
  -V(xc)+E(xc)   XCENC  =       -83.53072526
  PAW double counting   =    101691.18811318  -101590.23554076
  entropy T*S    EENTRO =         0.00071875
  eigenvalues    EBANDS =       -34.69941387
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88808863 eV

  energy without entropy =      -13.88880737  energy(sigma->0) =      -13.88832821
  exchange ACFDT corr.  =        -0.00258866  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7741: real time      0.7756
    TRIAL :  cpu time    254.4307: real time    255.4082
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1130: real time      0.1134
    --------------------------------------------
      LOOP:  cpu time    255.7411: real time    256.7218

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1575037E-04  (-0.2015230E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0010368 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.07632600
  -exchange      EXHF   =        33.34054007
  -V(xc)+E(xc)   XCENC  =       -83.53069254
  PAW double counting   =    101693.45011332  -101592.49750582
  entropy T*S    EENTRO =         0.00072460
  eigenvalues    EBANDS =       -34.68210516
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88810438 eV

  energy without entropy =      -13.88882898  energy(sigma->0) =      -13.88834591
  exchange ACFDT corr.  =        -0.00258704  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7727: real time      0.7741
    TRIAL :  cpu time    254.5785: real time    255.5397
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1132: real time      0.1137
    --------------------------------------------
      LOOP:  cpu time    255.8876: real time    256.8520

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1288224E-04  (-0.7732619E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0010333 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.09483260
  -exchange      EXHF   =        33.34065596
  -V(xc)+E(xc)   XCENC  =       -83.53065745
  PAW double counting   =    101696.59593465  -101595.64331143
  entropy T*S    EENTRO =         0.00072501
  eigenvalues    EBANDS =       -34.66378399
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88811726 eV

  energy without entropy =      -13.88884227  energy(sigma->0) =      -13.88835893
  exchange ACFDT corr.  =        -0.00258254  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7718: real time      0.7732
    TRIAL :  cpu time    254.0124: real time    254.9782
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    255.1773: real time    256.1448
    CHARGE:  cpu time      0.1125: real time      0.1129
    --------------------------------------------
      LOOP:  cpu time    510.4967: real time    512.4332

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6638962E-05  (-0.5263775E-05)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0010302 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       410.52576877
  -Hartree energ DENC   =      -709.09364056
  -exchange      EXHF   =        33.34066505
  -V(xc)+E(xc)   XCENC  =       -83.53065113
  PAW double counting   =    101700.42283083  -101599.47024270
  entropy T*S    EENTRO =         0.00072358
  eigenvalues    EBANDS =       -34.66498155
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88812390 eV

  energy without entropy =      -13.88884747  energy(sigma->0) =      -13.88836509
  exchange ACFDT corr.  =        -0.00258237  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9967


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7929       2 -69.6920       3 -69.7566       4 -69.7101       5 -69.8308
 
 
 
 E-fermi :   3.2602     XC(G=0):  -5.1109     alpha+bet : -8.9779

 Fermi energy:         3.2601949702

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8819      1.00000
      2      -9.9294      1.00000
      3      -8.5651      1.00000
      4      -6.7045      1.00000
      5      -4.2434      1.00000
      6      -1.5027      1.00000
      7       1.7672      1.00000
      8       4.6750     -0.00000
      9       5.3589     -0.00000
     10       7.9109     -0.00000
     11       8.0076     -0.00000
     12      11.8884      0.00000
     13      12.2078      0.00000
     14      16.0642      0.00000
     15      16.0861      0.00000
     16      16.1176      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.1802      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.1938      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.3863      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.2831      0.00000
     16      12.6290      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.3571      0.00000
     16      12.6338      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.2828      0.00000
     16      12.6284      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8092      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      11.0333      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8093      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      10.8763      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8093      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      10.8763      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9695      0.00000
     16      10.9561      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9692      0.00000
     16      10.9391      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9691      0.00000
     16      10.8953      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7905      0.00000
     15       9.9921      0.00000
     16      10.5021      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7905      0.00000
     15       9.9926      0.00000
     16      10.5096      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7905      0.00000
     15       9.9911      0.00000
     16      10.5090      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5442      0.00000
     15      11.6996      0.00000
     16      12.6014      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5443      0.00000
     15      11.7004      0.00000
     16      12.5651      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5443      0.00000
     15      11.7019      0.00000
     16      12.5847      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2653      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2658      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2659      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2654      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2664      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2654      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78582
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6475      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6474      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6154     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6474      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78582
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6474      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6475      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6154     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6477      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4614     -0.00000
     15       8.9448      0.00000
     16       9.6308      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9624      0.00000
     16       9.7021      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4025      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4674      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4062      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4002      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5938     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0202      0.00000
     16       9.3075      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5938     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0201      0.00000
     16       9.3007      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5938     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0201      0.00000
     16       9.3031      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.4240      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.4667      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.4253      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4678     -0.00000
     16       8.8432      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4649     -0.00000
     16       8.8368      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4629     -0.00000
     16       8.8277      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4620     -0.00000
     16       8.8313      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4635     -0.00000
     16       8.8451      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.5260     -0.00000
     16       8.9458      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80207
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9237     -0.00000
     16       8.2967     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80209
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9227     -0.00000
     16       8.3473     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80210
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9226     -0.00000
     16       8.3802     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80206
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9227     -0.00000
     16       8.3197     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80210
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9229     -0.00000
     16       8.2841     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80209
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9229     -0.00000
     16       8.4023     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2355      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8747     -0.00000
     16       7.9359     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2355      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8726     -0.00000
     16       7.9229     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2354      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8769     -0.00000
     16       7.9230     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3063     -0.00000
     16       7.6354     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6743     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3064     -0.00000
     16       7.6521     -0.00000
 Fermi energy:         3.2601949702

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8819      1.00000
      2      -9.9294      1.00000
      3      -8.5651      1.00000
      4      -6.7045      1.00000
      5      -4.2434      1.00000
      6      -1.5027      1.00000
      7       1.7672      1.00000
      8       4.6750     -0.00000
      9       5.3589     -0.00000
     10       7.9109     -0.00000
     11       8.0076     -0.00000
     12      11.8884      0.00000
     13      12.2078      0.00000
     14      16.0669      0.00000
     15      16.0880      0.00000
     16      16.2309      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.2333      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.1877      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6342      1.00000
      2      -9.6811      1.00000
      3      -8.3155      1.00000
      4      -6.4531      1.00000
      5      -3.9867      1.00000
      6      -1.2519      1.00000
      7       2.0215      1.00000
      8       4.8930     -0.00000
      9       5.5665     -0.00000
     10       8.1103     -0.00000
     11       8.2032     -0.00000
     12      12.0255      0.00000
     13      12.3062      0.00000
     14      12.8308      0.00000
     15      13.6120      0.00000
     16      14.2003      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.2838      0.00000
     16      12.6401      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.2822      0.00000
     16      12.6285      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.8910      1.00000
      2      -8.9359      1.00000
      3      -7.5665      1.00000
      4      -5.6994      1.00000
      5      -3.2195      1.00000
      6      -0.5029      1.00000
      7       2.7570      1.00106
      8       5.5176     -0.00000
      9       6.1804     -0.00000
     10       8.3890     -0.00000
     11       8.7476      0.00000
     12       9.2821      0.00000
     13       9.7394      0.00000
     14      10.8152      0.00000
     15      12.2824      0.00000
     16      12.6281      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8093      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      10.8763      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8093      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      10.8763      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6515      1.00000
      2      -7.6926      1.00000
      3      -6.3170      1.00000
      4      -4.4449      1.00000
      5      -1.9536      1.00000
      6       0.7195      1.00000
      7       3.7606     -0.00117
      8       5.0244     -0.00000
      9       5.9782     -0.00000
     10       6.7185     -0.00000
     11       7.1843     -0.00000
     12       7.3360     -0.00000
     13       8.8093      0.00000
     14       9.7218      0.00000
     15       9.9679      0.00000
     16      10.8763      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9691      0.00000
     16      10.8925      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9691      0.00000
     16      10.9123      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9128      1.00000
      2      -5.9481      1.00000
      3      -4.5658      1.00000
      4      -2.6993      1.00000
      5      -0.2723      1.00000
      6       1.2004      1.00000
      7       2.1071      1.00000
      8       2.8721      1.00954
      9       3.7825     -0.00070
     10       5.4732     -0.00000
     11       5.7217     -0.00000
     12       7.7305     -0.00000
     13       8.2043     -0.00000
     14       8.6844     -0.00000
     15       9.9691      0.00000
     16      10.9411      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7905      0.00000
     15       9.9931      0.00000
     16      10.5025      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7917      0.00000
     15       9.9946      0.00000
     16      10.4460      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6712      1.00000
      2      -3.7025      1.00000
      3      -2.3340      1.00000
      4      -1.9393      1.00000
      5      -1.0625      1.00000
      6      -0.5237      1.00000
      7       0.5884      1.00000
      8       2.1887      1.00000
      9       2.5950      1.00001
     10       4.6648     -0.00000
     11       4.8823     -0.00000
     12       7.1654     -0.00000
     13       7.6476     -0.00000
     14       9.7905      0.00000
     15       9.9916      0.00000
     16      10.5051      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5444      0.00000
     15      11.7004      0.00000
     16      12.5671      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5444      0.00000
     15      11.6997      0.00000
     16      12.5784      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1388      1.00000
      2      -9.1843      1.00000
      3      -7.8162      1.00000
      4      -5.9506      1.00000
      5      -3.4748      1.00000
      6      -0.7517      1.00000
      7       2.5173      1.00000
      8       5.3181     -0.00000
      9       5.9785     -0.00000
     10       8.4895     -0.00000
     11       8.5570     -0.00000
     12      10.9849      0.00000
     13      11.0232      0.00000
     14      11.5443      0.00000
     15      11.7002      0.00000
     16      12.5496      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2692      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2685      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2663      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2657      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2653      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1474      1.00000
      2      -8.1902      1.00000
      3      -6.8170      1.00000
      4      -4.9465      1.00000
      5      -2.4576      1.00000
      6       0.2380      1.00000
      7       3.4433     -0.01345
      8       6.0065     -0.00000
      9       6.7260     -0.00000
     10       7.2931     -0.00000
     11       7.9280     -0.00000
     12       8.9657      0.00000
     13       9.1696      0.00000
     14       9.5930      0.00000
     15       9.8145      0.00000
     16      10.2657      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6475      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6485      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6474      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6475      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6475      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6583      1.00000
      2      -6.6964      1.00000
      3      -5.3163      1.00000
      4      -3.4447      1.00000
      5      -0.9624      1.00000
      6       1.6263      1.00000
      7       3.1886      0.78581
      8       4.2318     -0.00000
      9       5.1417     -0.00000
     10       5.6155     -0.00000
     11       7.1676     -0.00000
     12       7.5064     -0.00000
     13       8.0425     -0.00000
     14       8.5006     -0.00000
     15       9.0402      0.00000
     16       9.6478      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4118      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4606     -0.00000
     15       8.9447      0.00000
     16       9.6539      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4006      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4001      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.4112      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.6999      1.00000
      3      -3.3179      1.00000
      4      -1.4832      1.00000
      5      -0.2463      1.00000
      6       0.4799      1.00000
      7       1.3412      1.00000
      8       2.4228      1.00000
      9       3.7942     -0.00053
     10       4.1019     -0.00000
     11       6.2577     -0.00000
     12       6.7212     -0.00000
     13       7.7179     -0.00000
     14       8.4605     -0.00000
     15       8.9438      0.00000
     16       9.6231      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5938     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0202      0.00000
     16       9.3013      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5937     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0201      0.00000
     16       9.3014      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.1889      1.00000
      2      -3.1620      1.00000
      3      -2.2184      1.00000
      4      -2.2125      1.00000
      5      -1.0765      1.00000
      6      -0.6824      1.00000
      7       0.8312      1.00000
      8       1.5912      1.00000
      9       3.5938     -0.02009
     10       3.7462     -0.00161
     11       5.8321     -0.00000
     12       6.2223     -0.00000
     13       7.3837     -0.00000
     14       8.1856     -0.00000
     15       9.0201      0.00000
     16       9.3005      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.6005      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.5936      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9065      1.00000
      2      -6.9456      1.00000
      3      -5.5666      1.00000
      4      -3.6946      1.00000
      5      -1.2055      1.00000
      6       1.4370      1.00000
      7       4.3350     -0.00000
      8       5.4699     -0.00000
      9       5.8651     -0.00000
     10       6.5014     -0.00000
     11       6.8071     -0.00000
     12       7.3087     -0.00000
     13       7.7853     -0.00000
     14       7.8920     -0.00000
     15       8.0262     -0.00000
     16       9.4341      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4628     -0.00000
     16       8.8318      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4805     -0.00000
     16       8.8638      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4707     -0.00000
     16       8.8594      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4626     -0.00000
     16       8.8300      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4645     -0.00000
     16       8.9457      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1646      1.00000
      2      -5.1994      1.00000
      3      -3.8156      1.00000
      4      -1.9581      1.00000
      5       0.4419      1.00000
      6       1.9277      1.00000
      7       2.7849      1.00195
      8       3.5275     -0.03391
      9       4.4449     -0.00000
     10       4.6180     -0.00000
     11       5.5034     -0.00000
     12       6.0729     -0.00000
     13       6.6572     -0.00000
     14       7.1718     -0.00000
     15       8.4643     -0.00000
     16       8.8342      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80210
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9225     -0.00000
     16       8.2896     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80212
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9225     -0.00000
     16       8.3271     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80208
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9224     -0.00000
     16       8.2935     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80210
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9226     -0.00000
     16       8.4089     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80207
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9225     -0.00000
     16       8.3467     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9187      1.00000
      2      -2.9547      1.00000
      3      -1.5918      1.00000
      4      -1.1872      1.00000
      5      -0.3299      1.00000
      6       0.1936      1.00000
      7       1.3148      1.00000
      8       2.8137      1.00348
      9       3.1836      0.80211
     10       4.0962     -0.00000
     11       4.8332     -0.00000
     12       5.6188     -0.00000
     13       5.8969     -0.00000
     14       6.7888     -0.00000
     15       7.9253     -0.00000
     16       8.3443     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2354      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8750     -0.00000
     16       7.9292     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2355      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8668     -0.00000
     16       7.9238     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1664      1.00000
      2      -3.2026      1.00000
      3      -1.8279      1.00000
      4      -0.0517      1.00000
      5       1.2266      1.00000
      6       1.2355      1.00000
      7       1.7662      1.00000
      8       2.1829      1.00000
      9       2.9265      1.01983
     10       3.4442     -0.01441
     11       4.2094     -0.00000
     12       5.3071     -0.00000
     13       5.3632     -0.00000
     14       6.0271     -0.00000
     15       7.8741     -0.00000
     16       7.9233     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3066     -0.00000
     16       7.6577     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3064     -0.00000
     16       7.6358     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6883      1.00000
      2      -1.6585      1.00000
      3      -0.7515      1.00000
      4      -0.7165      1.00000
      5       0.3737      1.00000
      6       0.7426      1.00000
      7       1.0262      1.00000
      8       1.7847      1.00000
      9       2.3291      1.00000
     10       2.5927      1.00001
     11       3.9161     -0.00002
     12       5.2067     -0.00000
     13       5.4389     -0.00000
     14       5.6148     -0.00000
     15       7.3065     -0.00000
     16       7.6393     -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
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.004   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.004  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.004   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.004  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.274 -62.102  -0.000  -0.076  -0.000   0.000  -0.023   0.000
-62.102  33.169   0.000   0.032   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.117   0.000   0.000  -0.328  -0.000  -0.000
 -0.076   0.032   0.000   1.656   0.000  -0.000  -0.255  -0.000
 -0.000   0.000   0.000   0.000   2.117  -0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000  -0.000   0.051   0.000   0.000
 -0.023   0.014  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    199.5674: real time    200.2916
    FORNL :  cpu time      0.0783: real time      0.0785
    FORCOR:  cpu time      1.1839: real time      1.1866
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.568E-05 -.343E-05 0.184E+03   0.504E-13 0.256E-13 -.183E+03   0.619E-05 0.326E-05 -.123E+01
   0.750E-06 -.279E-05 0.920E+02   0.479E-14 0.721E-14 -.921E+02   -.785E-08 0.376E-05 0.237E+00
   -.451E-05 0.126E-05 -.719E+00   -.147E-12 -.834E-13 0.717E+00   0.591E-05 -.605E-06 0.180E-01
   -.733E-05 -.520E-05 -.933E+02   0.134E-12 0.771E-13 0.933E+02   0.125E-04 0.969E-05 0.318E-01
   0.260E-05 0.729E-05 -.182E+03   -.380E-13 -.230E-13 0.181E+03   -.258E-05 -.534E-05 0.955E+00
 -----------------------------------------------------------------------------------------------
   -.148E-04 -.308E-05 0.611E-02   0.439E-14 0.346E-14 0.000E+00   0.220E-04 0.108E-04 0.141E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000002     -0.000002     -0.091589
      0.00000      0.00000      2.33311        -0.000001     -0.000001      0.119622
      1.42873      0.82488      4.63949         0.000000     -0.000001      0.011166
      2.85746      1.64976      6.94947         0.000004      0.000003     -0.017168
      0.00000      0.00000      9.33630        -0.000002      0.000000     -0.022031
 -----------------------------------------------------------------------------------
    total drift:                                0.000008      0.000008      0.021956


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88812390 eV

  energy  without entropy=      -13.88884747  energy(sigma->0) =      -13.88836509
 
 d Force = 0.3697032E-03[ 0.319E-03, 0.421E-03]  d Energy = 0.4098887E-03-0.402E-04
 d Force =-0.2679038E+01[-0.268E+01,-0.268E+01]  d Ewald  =-0.2679037E+01-0.940E-06


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


    POTLOK:  cpu time      1.1903: real time      1.1931


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




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


    WAVPRE:  cpu time      0.8076: real time      1.0220
    FEWALD:  cpu time      0.0004: real time      0.0004
    ORTHCH:  cpu time      0.0570: real time      0.0572
    POTLOK:  cpu time      1.1917: real time      1.1944
    EDDIAG:  cpu time    256.3688: real time    257.3848
    CHARGE:  cpu time      0.1115: real time      0.1119
 writing wavefunctions
     LOOP+:  cpu time   4035.3351: real time   4051.2353


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


    POTLOK:  cpu time      0.4184: real time      0.4198
    SETDIJ:  cpu time      0.7710: real time      0.7723
    TRIAL :  cpu time    254.8784: real time    255.8580
    CORREC:  cpu time      0.0024: real time      0.0024
    CHARGE:  cpu time      0.1061: real time      0.1065
    --------------------------------------------
      LOOP:  cpu time    256.1782: real time    257.2641

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1166018E-01  (-0.5405696E-02)
 number of electron      15.0000000 magnetization      -0.0000018
 augmentation part       -0.0011003 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -713.14516319
  -exchange      EXHF   =        33.35857317
  -V(xc)+E(xc)   XCENC  =       -83.52488920
  PAW double counting   =    101474.07118158  -101373.12018057
  entropy T*S    EENTRO =         0.00157034
  eigenvalues    EBANDS =       -35.99891356
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87645708 eV

  energy without entropy =      -13.87802742  energy(sigma->0) =      -13.87698053
  exchange ACFDT corr.  =        -0.00206849  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4211
    SETDIJ:  cpu time      0.7721: real time      0.7734
    TRIAL :  cpu time    254.7300: real time    255.7046
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    256.0308: real time    257.0084

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4281149E-02  (-0.4233556E-02)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0010671 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.11683681
  -exchange      EXHF   =        33.36423545
  -V(xc)+E(xc)   XCENC  =       -83.52296217
  PAW double counting   =    101473.21090692  -101372.26000691
  entropy T*S    EENTRO =         0.00159839
  eigenvalues    EBANDS =       -35.03911720
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88073823 eV

  energy without entropy =      -13.88233662  energy(sigma->0) =      -13.88127103
  exchange ACFDT corr.  =        -0.00199135  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4213
    SETDIJ:  cpu time      0.7732: real time      0.7745
    TRIAL :  cpu time    254.7718: real time    255.7216
    CORREC:  cpu time      0.0021: real time      0.0022
    CHARGE:  cpu time      0.1064: real time      0.1068
    --------------------------------------------
      LOOP:  cpu time    256.0738: real time    257.0267

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3307591E-02  (-0.2554607E-02)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0010264 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.63991945
  -exchange      EXHF   =        33.36892273
  -V(xc)+E(xc)   XCENC  =       -83.52136625
  PAW double counting   =    101477.40285256  -101376.45201250
  entropy T*S    EENTRO =         0.00153309
  eigenvalues    EBANDS =       -34.52559343
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88404582 eV

  energy without entropy =      -13.88557891  energy(sigma->0) =      -13.88455685
  exchange ACFDT corr.  =        -0.00196402  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7696: real time      0.7710
    TRIAL :  cpu time    254.4117: real time    255.3690
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1061: real time      0.1065
    --------------------------------------------
      LOOP:  cpu time    255.7099: real time    256.6703

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1990241E-02  (-0.1354189E-02)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0009881 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.51243680
  -exchange      EXHF   =        33.37067147
  -V(xc)+E(xc)   XCENC  =       -83.52078544
  PAW double counting   =    101487.26819889  -101386.31725570
  entropy T*S    EENTRO =         0.00147894
  eigenvalues    EBANDS =       -34.65743370
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88603606 eV

  energy without entropy =      -13.88751501  energy(sigma->0) =      -13.88652904
  exchange ACFDT corr.  =        -0.00232745  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7712: real time      0.7726
    TRIAL :  cpu time    254.6824: real time    255.6447
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1062: real time      0.1066
    --------------------------------------------
      LOOP:  cpu time    255.9829: real time    256.9484

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1047520E-02  (-0.8123039E-03)
 number of electron      15.0000000 magnetization      -0.0000032
 augmentation part       -0.0009563 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.30924096
  -exchange      EXHF   =        33.37087856
  -V(xc)+E(xc)   XCENC  =       -83.52073737
  PAW double counting   =    101499.51828515  -101398.56725238
  entropy T*S    EENTRO =         0.00148348
  eigenvalues    EBANDS =       -34.86196766
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88708358 eV

  energy without entropy =      -13.88856706  energy(sigma->0) =      -13.88757808
  exchange ACFDT corr.  =        -0.00202558  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    254.8171: real time    255.7626
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1086: real time      0.1089
    --------------------------------------------
      LOOP:  cpu time    256.1185: real time    257.0671

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6521974E-03  (-0.4772874E-03)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0009314 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.32857961
  -exchange      EXHF   =        33.37076756
  -V(xc)+E(xc)   XCENC  =       -83.52080353
  PAW double counting   =    101512.48853408  -101411.53740667
  entropy T*S    EENTRO =         0.00150333
  eigenvalues    EBANDS =       -34.84320323
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88773578 eV

  energy without entropy =      -13.88923911  energy(sigma->0) =      -13.88823689
  exchange ACFDT corr.  =        -0.00202072  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7683: real time      0.7698
    TRIAL :  cpu time    254.6615: real time    255.7472
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1108: real time      0.1112
    --------------------------------------------
      LOOP:  cpu time    255.9639: real time    257.0529

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3709000E-03  (-0.2603352E-03)
 number of electron      15.0000000 magnetization      -0.0000035
 augmentation part       -0.0009119 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.40410367
  -exchange      EXHF   =        33.37045936
  -V(xc)+E(xc)   XCENC  =       -83.52093047
  PAW double counting   =    101525.30056871  -101424.34932338
  entropy T*S    EENTRO =         0.00150341
  eigenvalues    EBANDS =       -34.76775271
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88810668 eV

  energy without entropy =      -13.88961009  energy(sigma->0) =      -13.88860782
  exchange ACFDT corr.  =        -0.00200666  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4193: real time      0.4207
    SETDIJ:  cpu time      0.7705: real time      0.7719
    TRIAL :  cpu time    254.7328: real time    255.7176
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1108: real time      0.1112
    --------------------------------------------
      LOOP:  cpu time    256.0359: real time    257.0238

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2112057E-03  (-0.1689763E-03)
 number of electron      15.0000000 magnetization      -0.0000036
 augmentation part       -0.0008970 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.37244493
  -exchange      EXHF   =        33.36998633
  -V(xc)+E(xc)   XCENC  =       -83.52111550
  PAW double counting   =    101539.09992394  -101438.14865557
  entropy T*S    EENTRO =         0.00149207
  eigenvalues    EBANDS =       -34.79898771
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88831789 eV

  energy without entropy =      -13.88980996  energy(sigma->0) =      -13.88881524
  exchange ACFDT corr.  =        -0.00200474  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7701: real time      0.7715
    TRIAL :  cpu time    254.6620: real time    255.6121
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1115: real time      0.1119
    --------------------------------------------
      LOOP:  cpu time    255.9664: real time    256.9196

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1386162E-03  (-0.1023266E-03)
 number of electron      15.0000000 magnetization      -0.0000037
 augmentation part       -0.0008849 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.29234098
  -exchange      EXHF   =        33.36965008
  -V(xc)+E(xc)   XCENC  =       -83.52125830
  PAW double counting   =    101553.73204592  -101452.78082128
  entropy T*S    EENTRO =         0.00148712
  eigenvalues    EBANDS =       -34.87869616
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88845650 eV

  energy without entropy =      -13.88994362  energy(sigma->0) =      -13.88895221
  exchange ACFDT corr.  =        -0.00200939  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    254.3363: real time    255.3177
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1112: real time      0.1116
    --------------------------------------------
      LOOP:  cpu time    255.6411: real time    256.6257

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8530562E-04  (-0.6227731E-04)
 number of electron      15.0000000 magnetization      -0.0000037
 augmentation part       -0.0008735 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.27123090
  -exchange      EXHF   =        33.36966044
  -V(xc)+E(xc)   XCENC  =       -83.52127658
  PAW double counting   =    101570.07933744  -101469.12813070
  entropy T*S    EENTRO =         0.00149152
  eigenvalues    EBANDS =       -34.89986076
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88854181 eV

  energy without entropy =      -13.89003333  energy(sigma->0) =      -13.88903898
  exchange ACFDT corr.  =        -0.00200975  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7726: real time      0.7739
    TRIAL :  cpu time    253.8534: real time    254.7925
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1109: real time      0.1113
    --------------------------------------------
      LOOP:  cpu time    255.1592: real time    256.1015

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5145979E-04  (-0.3415370E-04)
 number of electron      15.0000000 magnetization      -0.0000036
 augmentation part       -0.0008632 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.31078920
  -exchange      EXHF   =        33.36990038
  -V(xc)+E(xc)   XCENC  =       -83.52120730
  PAW double counting   =    101588.47789272  -101487.52677157
  entropy T*S    EENTRO =         0.00149603
  eigenvalues    EBANDS =       -34.86058195
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88859327 eV

  energy without entropy =      -13.89008930  energy(sigma->0) =      -13.88909195
  exchange ACFDT corr.  =        -0.00200437  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7724: real time      0.7738
    TRIAL :  cpu time    253.7819: real time    254.7156
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1119: real time      0.1123
    --------------------------------------------
      LOOP:  cpu time    255.0889: real time    256.0258

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2784632E-04  (-0.1842458E-04)
 number of electron      15.0000000 magnetization      -0.0000036
 augmentation part       -0.0008544 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.34590550
  -exchange      EXHF   =        33.37010496
  -V(xc)+E(xc)   XCENC  =       -83.52114428
  PAW double counting   =    101606.24588749  -101505.29476230
  entropy T*S    EENTRO =         0.00149497
  eigenvalues    EBANDS =       -34.82576966
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88862111 eV

  energy without entropy =      -13.89011609  energy(sigma->0) =      -13.88911944
  exchange ACFDT corr.  =        -0.00199916  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4211
    SETDIJ:  cpu time      0.7710: real time      0.7725
    TRIAL :  cpu time    253.5568: real time    254.5055
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1115: real time      0.1119
    --------------------------------------------
      LOOP:  cpu time    254.8615: real time    255.8135

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1535101E-04  (-0.1058435E-04)
 number of electron      15.0000000 magnetization      -0.0000035
 augmentation part       -0.0008473 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.34466150
  -exchange      EXHF   =        33.37015211
  -V(xc)+E(xc)   XCENC  =       -83.52113220
  PAW double counting   =    101622.03821861  -101521.08705419
  entropy T*S    EENTRO =         0.00149193
  eigenvalues    EBANDS =       -34.82712640
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88863646 eV

  energy without entropy =      -13.89012839  energy(sigma->0) =      -13.88913377
  exchange ACFDT corr.  =        -0.00199773  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  14)  ---------------------------------------


    POTLOK:  cpu time      0.4194: real time      0.4208
    SETDIJ:  cpu time      0.7682: real time      0.7695
    TRIAL :  cpu time    254.4063: real time    255.3790
    CORREC:  cpu time      0.0021: real time      0.0021
    EDDIAG:  cpu time    255.6422: real time    256.6345
    CHARGE:  cpu time      0.1114: real time      0.1118
    --------------------------------------------
      LOOP:  cpu time    511.3501: real time    513.3182

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8730577E-05  (-0.6111317E-05)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0008421 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       415.90008789
  -Hartree energ DENC   =      -714.32809593
  -exchange      EXHF   =        33.37007841
  -V(xc)+E(xc)   XCENC  =       -83.52114945
  PAW double counting   =    101635.64374317  -101534.69256251
  entropy T*S    EENTRO =         0.00149102
  eigenvalues    EBANDS =       -34.84365515
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88864520 eV

  energy without entropy =      -13.89013622  energy(sigma->0) =      -13.88914220
  exchange ACFDT corr.  =        -0.00199784  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0297


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8034       2 -69.6975       3 -69.7565       4 -69.7106       5 -69.8283
 
 
 
 E-fermi :   3.2488     XC(G=0):  -5.1076     alpha+bet : -8.9779

 Fermi energy:         3.2488264969

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9075      1.00000
      2      -9.9475      1.00000
      3      -8.5773      1.00000
      4      -6.7096      1.00000
      5      -4.2314      1.00000
      6      -1.5020      1.00000
      7       1.7881      1.00000
      8       4.6930     -0.00000
      9       5.3666     -0.00000
     10       7.9174     -0.00000
     11       8.0179     -0.00000
     12      11.8922      0.00000
     13      12.2172      0.00000
     14      16.0385      0.00000
     15      16.0516      0.00000
     16      16.0766      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.1542      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.1623      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.3398      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.2796      0.00000
     16      12.6282      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.3323      0.00000
     16      12.6308      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.2794      0.00000
     16      12.6282      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4501      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.9453      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4501      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.8833      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4501      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.8833      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9695      0.00000
     16      10.9277      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9693      0.00000
     16      10.9288      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9692      0.00000
     16      10.8798      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8084      0.00000
     15       9.9950      0.00000
     16      10.5075      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8084      0.00000
     15       9.9953      0.00000
     16      10.5173      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8084      0.00000
     15       9.9942      0.00000
     16      10.5165      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5275      0.00000
     15      11.6840      0.00000
     16      12.5992      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5276      0.00000
     15      11.6847      0.00000
     16      12.5563      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5276      0.00000
     15      11.6857      0.00000
     16      12.5803      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2499      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2501      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2503      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2499      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2505      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2499      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6510      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6510      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6510      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6511      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6510      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6513      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4568     -0.00000
     15       8.9422      0.00000
     16       9.6204      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4562     -0.00000
     15       8.9534      0.00000
     16       9.7028      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4093      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4562     -0.00000
     15       8.9416      0.00000
     16       9.4435      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4105      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4079      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01541
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3167      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01541
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3096      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01541
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3125      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.4168      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.4458      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.4175      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4718     -0.00000
     16       8.8465      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4700     -0.00000
     16       8.8410      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4684     -0.00000
     16       8.8325      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5949     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4671     -0.00000
     16       8.8351      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4689     -0.00000
     16       8.8495      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.5151     -0.00000
     16       8.9054      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77027
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9255     -0.00000
     16       8.2907     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77030
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9247     -0.00000
     16       8.3507     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77034
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9247     -0.00000
     16       8.3865     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77026
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9247     -0.00000
     16       8.3172     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77033
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9249     -0.00000
     16       8.2822     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77030
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9249     -0.00000
     16       8.4082     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02101
     10       3.4303     -0.01229
     11       4.2058     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8868     -0.00000
     16       7.9395     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02101
     10       3.4303     -0.01230
     11       4.2057     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8854     -0.00000
     16       7.9334     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02101
     10       3.4303     -0.01230
     11       4.2057     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8892     -0.00000
     16       7.9335     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6864      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7296      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3071     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6863      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7295      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3073     -0.00000
     16       7.6750     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6864      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7296      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3072     -0.00000
     16       7.6546     -0.00000
 Fermi energy:         3.2488264969

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9076      1.00000
      2      -9.9475      1.00000
      3      -8.5773      1.00000
      4      -6.7096      1.00000
      5      -4.2314      1.00000
      6      -1.5020      1.00000
      7       1.7881      1.00000
      8       4.6930     -0.00000
      9       5.3666     -0.00000
     10       7.9174     -0.00000
     11       8.0179     -0.00000
     12      11.8922      0.00000
     13      12.2172      0.00000
     14      16.0415      0.00000
     15      16.0555      0.00000
     16      16.1794      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.1878      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.1585      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6599      1.00000
      2      -9.6992      1.00000
      3      -8.3277      1.00000
      4      -6.4582      1.00000
      5      -3.9747      1.00000
      6      -1.2512      1.00000
      7       2.0423      1.00000
      8       4.9108     -0.00000
      9       5.5742     -0.00000
     10       8.1166     -0.00000
     11       8.2133     -0.00000
     12      12.0257      0.00000
     13      12.3124      0.00000
     14      12.8107      0.00000
     15      13.5968      0.00000
     16      14.1662      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.2806      0.00000
     16      12.6327      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.2790      0.00000
     16      12.6283      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9169      1.00000
      2      -8.9541      1.00000
      3      -7.5788      1.00000
      4      -5.7046      1.00000
      5      -3.2075      1.00000
      6      -0.5023      1.00000
      7       2.7771      1.00210
      8       5.5343     -0.00000
      9       6.1878     -0.00000
     10       8.3797     -0.00000
     11       8.7551      0.00000
     12       9.2733      0.00000
     13       9.7226      0.00000
     14      10.8038      0.00000
     15      12.2791      0.00000
     16      12.6279      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4502      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.8834      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4502      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.8833      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6776      1.00000
      2      -7.7110      1.00000
      3      -6.3294      1.00000
      4      -4.4502      1.00000
      5      -1.9417      1.00000
      6       0.7198      1.00000
      7       3.7699     -0.00072
      8       5.0064     -0.00000
      9       5.9628     -0.00000
     10       6.7286     -0.00000
     11       7.1834     -0.00000
     12       7.3360     -0.00000
     13       8.8035      0.00000
     14       9.7288      0.00000
     15       9.9776      0.00000
     16      10.8833      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9693      0.00000
     16      10.8765      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9693      0.00000
     16      10.8997      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9395      1.00000
      2      -5.9667      1.00000
      3      -4.5786      1.00000
      4      -2.7049      1.00000
      5      -0.2630      1.00000
      6       1.1738      1.00000
      7       2.0933      1.00000
      8       2.8658      1.01034
      9       3.7707     -0.00071
     10       5.4690     -0.00000
     11       5.7400     -0.00000
     12       7.7409     -0.00000
     13       8.2212     -0.00000
     14       8.6917     -0.00000
     15       9.9692      0.00000
     16      10.9364      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8084      0.00000
     15       9.9957      0.00000
     16      10.5077      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8090      0.00000
     15       9.9968      0.00000
     16      10.4347      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.6988      1.00000
      2      -3.7216      1.00000
      3      -2.3473      1.00000
      4      -1.9680      1.00000
      5      -1.0812      1.00000
      6      -0.5323      1.00000
      7       0.5780      1.00000
      8       2.1926      1.00000
      9       2.5978      1.00002
     10       4.6668     -0.00000
     11       4.8926     -0.00000
     12       7.1667     -0.00000
     13       7.6659     -0.00000
     14       9.8084      0.00000
     15       9.9946      0.00000
     16      10.5113      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5277      0.00000
     15      11.6847      0.00000
     16      12.5621      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5277      0.00000
     15      11.6842      0.00000
     16      12.5748      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1646      1.00000
      2      -9.2025      1.00000
      3      -7.8285      1.00000
      4      -5.9557      1.00000
      5      -3.4627      1.00000
      6      -0.7511      1.00000
      7       2.5378      1.00000
      8       5.3355     -0.00000
      9       5.9861     -0.00000
     10       8.4946     -0.00000
     11       8.5655     -0.00000
     12      10.9607      0.00000
     13      10.9990      0.00000
     14      11.5276      0.00000
     15      11.6845      0.00000
     16      12.5420      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2521      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03038
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2518      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2504      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03037
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2502      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
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      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2498      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1735      1.00000
      2      -8.2085      1.00000
      3      -6.8294      1.00000
      4      -4.9517      1.00000
      5      -2.4456      1.00000
      6       0.2386      1.00000
      7       3.4616     -0.03038
      8       6.0153     -0.00000
      9       6.7298     -0.00000
     10       7.2775     -0.00000
     11       7.9119     -0.00000
     12       8.9550      0.00000
     13       9.1590      0.00000
     14       9.6003      0.00000
     15       9.8055      0.00000
     16      10.2501      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82741
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6511      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82739
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6519      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82741
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6510      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82740
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6511      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82741
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6511      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6847      1.00000
      2      -6.7149      1.00000
      3      -5.3289      1.00000
      4      -3.4500      1.00000
      5      -0.9510      1.00000
      6       1.6247      1.00000
      7       3.1634      0.82739
      8       4.2157     -0.00000
      9       5.1542     -0.00000
     10       5.6051     -0.00000
     11       7.1648     -0.00000
     12       7.5108     -0.00000
     13       8.0489     -0.00000
     14       8.4864     -0.00000
     15       9.0307      0.00000
     16       9.6513      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4693      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4143      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00040
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4562     -0.00000
     15       8.9421      0.00000
     16       9.6502      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4693      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4079      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4693      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4078      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4693      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4561     -0.00000
     15       8.9416      0.00000
     16       9.4156      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.6944      1.00000
      2      -4.7188      1.00000
      3      -3.3310      1.00000
      4      -1.4894      1.00000
      5      -0.2743      1.00000
      6       0.4694      1.00000
      7       1.3390      1.00000
      8       2.4142      1.00000
      9       3.7947     -0.00039
     10       4.0970     -0.00000
     11       6.2646     -0.00000
     12       6.7334     -0.00000
     13       7.7024     -0.00000
     14       8.4562     -0.00000
     15       8.9416      0.00000
     16       9.6099      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01541
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3102      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01542
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3105      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2167      1.00000
      2      -3.1904      1.00000
      3      -2.2373      1.00000
      4      -2.2324      1.00000
      5      -1.0914      1.00000
      6      -0.6946      1.00000
      7       0.8246      1.00000
      8       1.5879      1.00000
      9       3.6042     -0.01542
     10       3.7589     -0.00094
     11       5.8294     -0.00000
     12       6.2244     -0.00000
     13       7.3627     -0.00000
     14       8.1785     -0.00000
     15       9.0351      0.00000
     16       9.3093      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.5666      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.5588      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9328      1.00000
      2      -6.9641      1.00000
      3      -5.5791      1.00000
      4      -3.6998      1.00000
      5      -1.1937      1.00000
      6       1.4370      1.00000
      7       4.3406     -0.00000
      8       5.4458     -0.00000
      9       5.8470     -0.00000
     10       6.4824     -0.00000
     11       6.7960     -0.00000
     12       7.3074     -0.00000
     13       7.7848     -0.00000
     14       7.8988     -0.00000
     15       8.0162     -0.00000
     16       9.4229      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4683     -0.00000
     16       8.8359      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4797     -0.00000
     16       8.8531      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4744     -0.00000
     16       8.8585      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4682     -0.00000
     16       8.8344      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4691     -0.00000
     16       8.9384      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1914      1.00000
      2      -5.2181      1.00000
      3      -3.8284      1.00000
      4      -1.9637      1.00000
      5       0.4508      1.00000
      6       1.9021      1.00000
      7       2.7712      1.00187
      8       3.5190     -0.03346
      9       4.4329     -0.00000
     10       4.5948     -0.00000
     11       5.4874     -0.00000
     12       6.0663     -0.00000
     13       6.6708     -0.00000
     14       7.1670     -0.00000
     15       8.4691     -0.00000
     16       8.8359      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77034
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9246     -0.00000
     16       8.2890     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77039
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9246     -0.00000
     16       8.3178     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77029
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9246     -0.00000
     16       8.2878     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77033
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9246     -0.00000
     16       8.4183     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77028
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9246     -0.00000
     16       8.3515     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9461      1.00000
      2      -2.9738      1.00000
      3      -1.6053      1.00000
      4      -1.2152      1.00000
      5      -0.3483      1.00000
      6       0.1847      1.00000
      7       1.3044      1.00000
      8       2.8171      1.00461
      9       3.1814      0.77036
     10       4.0729     -0.00000
     11       4.8264     -0.00000
     12       5.6200     -0.00000
     13       5.8953     -0.00000
     14       6.7818     -0.00000
     15       7.9268     -0.00000
     16       8.3339     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02102
     10       3.4303     -0.01230
     11       4.2057     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8880     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02101
     10       3.4303     -0.01229
     11       4.2057     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8811     -0.00000
     16       7.9340     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1936      1.00000
      2      -3.2216      1.00000
      3      -1.8411      1.00000
      4      -0.0586      1.00000
      5       1.2009      1.00000
      6       1.2080      1.00000
      7       1.7560      1.00000
      8       2.1637      1.00000
      9       2.9203      1.02101
     10       3.4303     -0.01230
     11       4.2057     -0.00000
     12       5.3083     -0.00000
     13       5.3582     -0.00000
     14       6.0244     -0.00000
     15       7.8871     -0.00000
     16       7.9336     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6864      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7296      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3074     -0.00000
     16       7.6594     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6864      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7295      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3072     -0.00000
     16       7.6385     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7156      1.00000
      2      -1.6864      1.00000
      3      -0.7713      1.00000
      4      -0.7351      1.00000
      5       0.3585      1.00000
      6       0.7295      1.00000
      7       0.9993      1.00000
      8       1.7670      1.00000
      9       2.3212      1.00000
     10       2.5834      1.00001
     11       3.9113     -0.00001
     12       5.2114     -0.00000
     13       5.4519     -0.00000
     14       5.6174     -0.00000
     15       7.3073     -0.00000
     16       7.6412     -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
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006   0.000
 13.764  23.490   0.000  -0.003  -0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.253 -62.091  -0.000  -0.080  -0.000   0.000  -0.023   0.000
-62.091  33.163   0.000   0.034   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.116   0.000   0.000  -0.328  -0.000  -0.000
 -0.080   0.034   0.000   1.659   0.000  -0.000  -0.255  -0.000
 -0.000   0.000   0.000   0.000   2.116  -0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000  -0.000   0.051   0.000   0.000
 -0.023   0.013  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    199.5989: real time    200.3673
    FORNL :  cpu time      0.0793: real time      0.0796
    FORCOR:  cpu time      1.1849: real time      1.1877
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.135E-04 -.597E-05 0.184E+03   0.507E-13 0.259E-13 -.183E+03   0.147E-04 0.617E-05 -.122E+01
   0.394E-05 -.167E-05 0.925E+02   0.343E-14 0.826E-14 -.926E+02   -.374E-05 0.283E-05 0.198E+00
   -.638E-05 0.941E-06 -.693E+00   -.148E-12 -.922E-13 0.674E+00   0.615E-05 0.905E-06 0.378E-01
   -.100E-05 -.837E-06 -.936E+02   0.142E-12 0.867E-13 0.935E+02   0.521E-05 0.470E-05 0.732E-02
   0.111E-05 0.124E-04 -.183E+03   -.434E-13 -.253E-13 0.182E+03   -.122E-05 -.114E-04 0.100E+01
 -----------------------------------------------------------------------------------------------
   -.176E-04 0.450E-05 -.107E-01   0.439E-14 0.346E-14 -.284E-13   0.211E-04 0.320E-05 0.198E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000002     -0.092198
      0.00000      0.00000      2.33311        -0.000000     -0.000000      0.098533
      1.42873      0.82488      4.63119        -0.000002     -0.000000      0.016143
      2.85746      1.64976      6.93614         0.000004      0.000003     -0.024483
      0.00000      0.00000      9.31354        -0.000001     -0.000000      0.002005
 -----------------------------------------------------------------------------------
    total drift:                                0.000004      0.000008      0.010680


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88864520 eV

  energy  without entropy=      -13.89013622  energy(sigma->0) =      -13.88914220
 
 d Force = 0.3921750E-03[ 0.147E-03, 0.638E-03]  d Energy = 0.5212984E-03-0.129E-03
 d Force =-0.5374318E+01[-0.539E+01,-0.536E+01]  d Ewald  =-0.5374319E+01 0.700E-06


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


    POTLOK:  cpu time      1.1891: real time      1.1919


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0513
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0576: real time      0.0579
    POTLOK:  cpu time      1.1909: real time      1.1937
    EDDIAG:  cpu time    257.0897: real time    258.1039
    CHARGE:  cpu time      0.1104: real time      0.1108
 writing wavefunctions
     LOOP+:  cpu time   4297.2629: real time   4314.0715


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


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7688: real time      0.7702
    TRIAL :  cpu time    254.4950: real time    255.4979
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1058: real time      0.1062
    --------------------------------------------
      LOOP:  cpu time    255.7937: real time    256.9420

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1086575E-02  (-0.6407411E-03)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0008197 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.57870495
  -exchange      EXHF   =        33.37543494
  -V(xc)+E(xc)   XCENC  =       -83.51946316
  PAW double counting   =    101639.87073505  -101538.92011796
  entropy T*S    EENTRO =         0.00168580
  eigenvalues    EBANDS =       -35.21094288
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88754989 eV

  energy without entropy =      -13.88923569  energy(sigma->0) =      -13.88811182
  exchange ACFDT corr.  =        -0.00185527  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7710: real time      0.7724
    TRIAL :  cpu time    254.0183: real time    254.9633
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1055: real time      0.1059
    --------------------------------------------
      LOOP:  cpu time    255.3176: real time    256.2658

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3524530E-03  (-0.5512407E-03)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0008158 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.82668362
  -exchange      EXHF   =        33.37703216
  -V(xc)+E(xc)   XCENC  =       -83.51892400
  PAW double counting   =    101642.27805474  -101541.32747172
  entropy T*S    EENTRO =         0.00167988
  eigenvalues    EBANDS =       -34.96544559
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88790234 eV

  energy without entropy =      -13.88958223  energy(sigma->0) =      -13.88846230
  exchange ACFDT corr.  =        -0.00183663  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7697: real time      0.7712
    TRIAL :  cpu time    254.4125: real time    255.3619
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1062: real time      0.1066
    --------------------------------------------
      LOOP:  cpu time    255.7117: real time    256.6643

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3597377E-03  (-0.2262294E-03)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0008103 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.95717180
  -exchange      EXHF   =        33.37833471
  -V(xc)+E(xc)   XCENC  =       -83.51847791
  PAW double counting   =    101646.20988828  -101545.25931860
  entropy T*S    EENTRO =         0.00166200
  eigenvalues    EBANDS =       -34.83704654
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88826208 eV

  energy without entropy =      -13.88992408  energy(sigma->0) =      -13.88881608
  exchange ACFDT corr.  =        -0.00183681  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7733: real time      0.7749
    TRIAL :  cpu time    254.7688: real time    255.7414
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1056: real time      0.1060
    --------------------------------------------
      LOOP:  cpu time    256.0712: real time    257.0471

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1809417E-03  (-0.1463307E-03)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0008055 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.94241684
  -exchange      EXHF   =        33.37892232
  -V(xc)+E(xc)   XCENC  =       -83.51828608
  PAW double counting   =    101649.34696147  -101548.39636890
  entropy T*S    EENTRO =         0.00165062
  eigenvalues    EBANDS =       -34.85276690
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88844302 eV

  energy without entropy =      -13.89009364  energy(sigma->0) =      -13.88899323
  exchange ACFDT corr.  =        -0.00184475  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7691: real time      0.7706
    TRIAL :  cpu time    254.3139: real time    255.2941
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1101: real time      0.1106
    --------------------------------------------
      LOOP:  cpu time    255.6156: real time    256.5991

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9583836E-04  (-0.1017083E-03)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0008019 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.90332255
  -exchange      EXHF   =        33.37906412
  -V(xc)+E(xc)   XCENC  =       -83.51824936
  PAW double counting   =    101650.77350194  -101549.82285948
  entropy T*S    EENTRO =         0.00164728
  eigenvalues    EBANDS =       -34.89217403
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88853886 eV

  energy without entropy =      -13.89018614  energy(sigma->0) =      -13.88908795
  exchange ACFDT corr.  =        -0.00184970  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7697: real time      0.7711
    TRIAL :  cpu time    254.7576: real time    255.7408
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1107: real time      0.1111
    --------------------------------------------
      LOOP:  cpu time    256.0613: real time    257.0477

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7210004E-04  (-0.4901187E-04)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0007991 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.90092020
  -exchange      EXHF   =        33.37901967
  -V(xc)+E(xc)   XCENC  =       -83.51827055
  PAW double counting   =    101651.48272984  -101550.53206656
  entropy T*S    EENTRO =         0.00165107
  eigenvalues    EBANDS =       -34.89460032
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88861096 eV

  energy without entropy =      -13.89026203  energy(sigma->0) =      -13.88916132
  exchange ACFDT corr.  =        -0.00185054  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7707: real time      0.7720
    TRIAL :  cpu time    254.0013: real time    254.9827
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1103: real time      0.1107
    --------------------------------------------
      LOOP:  cpu time    255.3053: real time    256.2899

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4037550E-04  (-0.3136304E-04)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0007973 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.91441069
  -exchange      EXHF   =        33.37892123
  -V(xc)+E(xc)   XCENC  =       -83.51830651
  PAW double counting   =    101651.60152493  -101550.65084928
  entropy T*S    EENTRO =         0.00165194
  eigenvalues    EBANDS =       -34.88103196
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88865134 eV

  energy without entropy =      -13.89030328  energy(sigma->0) =      -13.88920198
  exchange ACFDT corr.  =        -0.00184746  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4224
    SETDIJ:  cpu time      0.7719: real time      0.7732
    TRIAL :  cpu time    254.9024: real time    255.9226
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1100: real time      0.1104
    --------------------------------------------
      LOOP:  cpu time    256.2077: real time    257.2311

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2358190E-04  (-0.2265371E-04)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0007964 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.90647756
  -exchange      EXHF   =        33.37879530
  -V(xc)+E(xc)   XCENC  =       -83.51835081
  PAW double counting   =    101651.26045826  -101550.30976368
  entropy T*S    EENTRO =         0.00164805
  eigenvalues    EBANDS =       -34.88883825
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88867492 eV

  energy without entropy =      -13.89032296  energy(sigma->0) =      -13.88922427
  exchange ACFDT corr.  =        -0.00184615  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4220
    SETDIJ:  cpu time      0.7694: real time      0.7711
    TRIAL :  cpu time    254.4458: real time    255.4877
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1112: real time      0.1116
    --------------------------------------------
      LOOP:  cpu time    255.7493: real time    256.7949

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1757971E-04  (-0.1317421E-04)
 number of electron      15.0000000 magnetization      -0.0000027
 augmentation part       -0.0007958 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.88545637
  -exchange      EXHF   =        33.37870160
  -V(xc)+E(xc)   XCENC  =       -83.51838474
  PAW double counting   =    101650.75479524  -101549.80408082
  entropy T*S    EENTRO =         0.00164642
  eigenvalues    EBANDS =       -34.90976534
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869250 eV

  energy without entropy =      -13.89033891  energy(sigma->0) =      -13.88924130
  exchange ACFDT corr.  =        -0.00184758  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    254.1126: real time    255.0627
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1108: real time      0.1112
    --------------------------------------------
      LOOP:  cpu time    255.4169: real time    256.3702

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1160452E-04  (-0.9329499E-05)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0007949 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.87937853
  -exchange      EXHF   =        33.37870595
  -V(xc)+E(xc)   XCENC  =       -83.51838701
  PAW double counting   =    101650.59939195  -101549.64865240
  entropy T*S    EENTRO =         0.00164712
  eigenvalues    EBANDS =       -34.91588036
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88870410 eV

  energy without entropy =      -13.89035122  energy(sigma->0) =      -13.88925314
  exchange ACFDT corr.  =        -0.00184760  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7691: real time      0.7706
    TRIAL :  cpu time    254.6864: real time    255.6265
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.1558: real time    257.1399
    CHARGE:  cpu time      0.1101: real time      0.1105
    --------------------------------------------
      LOOP:  cpu time    512.1453: real time    514.0726

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7867509E-05  (-0.6509783E-05)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0007934 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       417.51246564
  -Hartree energ DENC   =      -715.88862200
  -exchange      EXHF   =        33.37883257
  -V(xc)+E(xc)   XCENC  =       -83.51836831
  PAW double counting   =    101651.39818401  -101550.44742746
  entropy T*S    EENTRO =         0.00164729
  eigenvalues    EBANDS =       -34.90674866
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88871197 eV

  energy without entropy =      -13.89035926  energy(sigma->0) =      -13.88926107
  exchange ACFDT corr.  =        -0.00184624  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.8325


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8027       2 -69.6970       3 -69.7565       4 -69.7144       5 -69.8336
 
 
 
 E-fermi :   3.2450     XC(G=0):  -5.1068     alpha+bet : -8.9779

 Fermi energy:         3.2450278177

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9155      1.00000
      2      -9.9540      1.00000
      3      -8.5819      1.00000
      4      -6.7118      1.00000
      5      -4.2285      1.00000
      6      -1.5024      1.00000
      7       1.7935      1.00000
      8       4.6982     -0.00000
      9       5.3690     -0.00000
     10       7.9195     -0.00000
     11       8.0207     -0.00000
     12      11.8935      0.00000
     13      12.2197      0.00000
     14      16.0302      0.00000
     15      16.0412      0.00000
     16      16.0611      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5913      0.00000
     16      14.1461      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5913      0.00000
     16      14.1518      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5913      0.00000
     16      14.3119      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7824      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.2777      0.00000
     16      12.6281      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7824      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.3208      0.00000
     16      12.6294      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7824      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.2775      0.00000
     16      12.6283      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.9178      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.8849      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.8849      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9690      0.00000
     16      10.8974      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9688      0.00000
     16      10.9239      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9688      0.00000
     16      10.8697      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8133      0.00000
     15       9.9956      0.00000
     16      10.5083      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8133      0.00000
     15       9.9958      0.00000
     16      10.5196      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8133      0.00000
     15       9.9949      0.00000
     16      10.5187      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5215      0.00000
     15      11.6786      0.00000
     16      12.5965      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5215      0.00000
     15      11.6791      0.00000
     16      12.5511      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5215      0.00000
     15      11.6797      0.00000
     16      12.5762      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2444      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2446      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2448      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2444      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2449      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2445      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
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     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
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      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83947
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     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
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      8       4.2100     -0.00000
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     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83947
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6514      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83947
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6517      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6976     -0.00000
     14       8.4544     -0.00000
     15       8.9409      0.00000
     16       9.6069      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
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      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2662     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9471      0.00000
     16       9.6982      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4110      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
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      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4273      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
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      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4112      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7027      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
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     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4098      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
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      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0392      0.00000
     16       9.3180      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
      7       0.8219      1.00000
      8       1.5863      1.00000
      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0391      0.00000
     16       9.3115      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
      7       0.8219      1.00000
      8       1.5863      1.00000
      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0391      0.00000
     16       9.3142      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
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      9       5.8414     -0.00000
     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.4133      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
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     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.4357      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
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      8       5.4383     -0.00000
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     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.4139      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9660      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4716     -0.00000
     16       8.8448      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4704     -0.00000
     16       8.8406      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9660      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4692     -0.00000
     16       8.8335      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9660      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4681     -0.00000
     16       8.8354      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4695     -0.00000
     16       8.8474      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9660      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.5045     -0.00000
     16       8.8784      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75859
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9255     -0.00000
     16       8.2875     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75861
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9249     -0.00000
     16       8.3473     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75864
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.3836     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75858
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9249     -0.00000
     16       8.3129     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75863
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9250     -0.00000
     16       8.2809     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75861
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9250     -0.00000
     16       8.4055     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01176
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8893     -0.00000
     16       7.9399     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01177
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8883     -0.00000
     16       7.9361     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01177
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8914     -0.00000
     16       7.9361     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6949      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6179     -0.00000
     15       7.3070     -0.00000
     16       7.6383     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6949      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6179     -0.00000
     15       7.3071     -0.00000
     16       7.6720     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6949      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6180     -0.00000
     15       7.3070     -0.00000
     16       7.6534     -0.00000
 Fermi energy:         3.2450278177

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9155      1.00000
      2      -9.9540      1.00000
      3      -8.5819      1.00000
      4      -6.7118      1.00000
      5      -4.2285      1.00000
      6      -1.5024      1.00000
      7       1.7935      1.00000
      8       4.6982     -0.00000
      9       5.3690     -0.00000
     10       7.9195     -0.00000
     11       8.0207     -0.00000
     12      11.8935      0.00000
     13      12.2197      0.00000
     14      16.0334      0.00000
     15      16.0450      0.00000
     16      16.1527      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5914      0.00000
     16      14.1702      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5913      0.00000
     16      14.1491      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6679      1.00000
      2      -9.7057      1.00000
      3      -8.3323      1.00000
      4      -6.4604      1.00000
      5      -3.9717      1.00000
      6      -1.2515      1.00000
      7       2.0477      1.00000
      8       4.9160     -0.00000
      9       5.5766     -0.00000
     10       8.1186     -0.00000
     11       8.2161     -0.00000
     12      12.0258      0.00000
     13      12.3138      0.00000
     14      12.8044      0.00000
     15      13.5913      0.00000
     16      14.1546      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7823      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.2786      0.00000
     16      12.6301      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7823      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.2771      0.00000
     16      12.6283      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9249      1.00000
      2      -8.9606      1.00000
      3      -7.5834      1.00000
      4      -5.7068      1.00000
      5      -3.2045      1.00000
      6      -0.5026      1.00000
      7       2.7823      1.00255
      8       5.5391     -0.00000
      9       6.1901     -0.00000
     10       8.3766     -0.00000
     11       8.7573      0.00000
     12       9.2705      0.00000
     13       9.7168      0.00000
     14      10.7995      0.00000
     15      12.2772      0.00000
     16      12.6279      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.8850      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.8849      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6857      1.00000
      2      -7.7175      1.00000
      3      -6.3340      1.00000
      4      -4.4524      1.00000
      5      -1.9387      1.00000
      6       0.7193      1.00000
      7       3.7719     -0.00062
      8       5.0008     -0.00000
      9       5.9573     -0.00000
     10       6.7314     -0.00000
     11       7.1826     -0.00000
     12       7.3358     -0.00000
     13       8.8011      0.00000
     14       9.7309      0.00000
     15       9.9803      0.00000
     16      10.8849      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9688      0.00000
     16      10.8637      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9688      0.00000
     16      10.8919      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9477      1.00000
      2      -5.9733      1.00000
      3      -4.5832      1.00000
      4      -2.7072      1.00000
      5      -0.2608      1.00000
      6       1.1656      1.00000
      7       2.0883      1.00000
      8       2.8633      1.01062
      9       3.7664     -0.00071
     10       5.4672     -0.00000
     11       5.7449     -0.00000
     12       7.7435     -0.00000
     13       8.2261     -0.00000
     14       8.6939     -0.00000
     15       9.9688      0.00000
     16      10.9343      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8133      0.00000
     15       9.9961      0.00000
     16      10.5085      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8137      0.00000
     15       9.9969      0.00000
     16      10.4250      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7073      1.00000
      2      -3.7283      1.00000
      3      -2.3522      1.00000
      4      -1.9768      1.00000
      5      -1.0878      1.00000
      6      -0.5356      1.00000
      7       0.5740      1.00000
      8       2.1930      1.00000
      9       2.5984      1.00002
     10       4.6669     -0.00000
     11       4.8953     -0.00000
     12       7.1666     -0.00000
     13       7.6709     -0.00000
     14       9.8133      0.00000
     15       9.9952      0.00000
     16      10.5127      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5216      0.00000
     15      11.6790      0.00000
     16      12.5586      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5216      0.00000
     15      11.6787      0.00000
     16      12.5723      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1726      1.00000
      2      -9.2090      1.00000
      3      -7.8331      1.00000
      4      -5.9580      1.00000
      5      -3.4597      1.00000
      6      -0.7514      1.00000
      7       2.5431      1.00000
      8       5.3405     -0.00000
      9       5.9885     -0.00000
     10       8.4962     -0.00000
     11       8.5678     -0.00000
     12      10.9533      0.00000
     13      10.9916      0.00000
     14      11.5215      0.00000
     15      11.6789      0.00000
     16      12.5379      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2460      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2458      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2449      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2447      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2444      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1815      1.00000
      2      -8.2150      1.00000
      3      -6.8340      1.00000
      4      -4.9539      1.00000
      5      -2.4425      1.00000
      6       0.2382      1.00000
      7       3.4663     -0.03292
      8       6.0176     -0.00000
      9       6.7310     -0.00000
     10       7.2729     -0.00000
     11       7.9061     -0.00000
     12       8.9513      0.00000
     13       9.1554      0.00000
     14       9.6023      0.00000
     15       9.8027      0.00000
     16      10.2446      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83948
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4820     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83947
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6520      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83948
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
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      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83948
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4820     -0.00000
     15       9.0270      0.00000
     16       9.6515      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6928      1.00000
      2      -6.7214      1.00000
      3      -5.3336      1.00000
      4      -3.4523      1.00000
      5      -0.9481      1.00000
      6       1.6237      1.00000
      7       3.1555      0.83948
      8       4.2100     -0.00000
      9       5.1572     -0.00000
     10       5.6013     -0.00000
     11       7.1634     -0.00000
     12       7.5117     -0.00000
     13       8.0508     -0.00000
     14       8.4821     -0.00000
     15       9.0270      0.00000
     16       9.6517      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4142      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9407      0.00000
     16       9.6394      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4099      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4098      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6975     -0.00000
     14       8.4541     -0.00000
     15       8.9404      0.00000
     16       9.4140      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7028      1.00000
      2      -4.7254      1.00000
      3      -3.3357      1.00000
      4      -1.4919      1.00000
      5      -0.2829      1.00000
      6       0.4653      1.00000
      7       1.3377      1.00000
      8       2.4108      1.00000
      9       3.7944     -0.00036
     10       4.0950     -0.00000
     11       6.2661     -0.00000
     12       6.7364     -0.00000
     13       7.6976     -0.00000
     14       8.4541     -0.00000
     15       8.9405      0.00000
     16       9.5920      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
      7       0.8219      1.00000
      8       1.5863      1.00000
      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0391      0.00000
     16       9.3120      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
      7       0.8219      1.00000
      8       1.5863      1.00000
      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0391      0.00000
     16       9.3123      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2252      1.00000
      2      -3.1991      1.00000
      3      -2.2440      1.00000
      4      -2.2393      1.00000
      5      -1.0967      1.00000
      6      -0.6991      1.00000
      7       0.8219      1.00000
      8       1.5863      1.00000
      9       3.6069     -0.01409
     10       3.7623     -0.00079
     11       5.8281     -0.00000
     12       6.2245     -0.00000
     13       7.3561     -0.00000
     14       8.1755     -0.00000
     15       9.0391      0.00000
     16       9.3112      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
      7       4.3415     -0.00000
      8       5.4383     -0.00000
      9       5.8414     -0.00000
     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.5469      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
      7       4.3415     -0.00000
      8       5.4383     -0.00000
      9       5.8414     -0.00000
     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.5363      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9409      1.00000
      2      -6.9706      1.00000
      3      -5.5838      1.00000
      4      -3.7021      1.00000
      5      -1.1907      1.00000
      6       1.4365      1.00000
      7       4.3415     -0.00000
      8       5.4383     -0.00000
      9       5.8414     -0.00000
     10       6.4757     -0.00000
     11       6.7918     -0.00000
     12       7.3065     -0.00000
     13       7.7841     -0.00000
     14       7.9008     -0.00000
     15       8.0126     -0.00000
     16       9.4180      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0636     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4691     -0.00000
     16       8.8364      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0636     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4768     -0.00000
     16       8.8449      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4737     -0.00000
     16       8.8523      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4690     -0.00000
     16       8.8351      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0637     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4697     -0.00000
     16       8.9143      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.1996      1.00000
      2      -5.2247      1.00000
      3      -3.8331      1.00000
      4      -1.9661      1.00000
      5       0.4529      1.00000
      6       1.8941      1.00000
      7       2.7662      1.00184
      8       3.5159     -0.03330
      9       4.4285     -0.00000
     10       4.5876     -0.00000
     11       5.4817     -0.00000
     12       6.0636     -0.00000
     13       6.6743     -0.00000
     14       7.1649     -0.00000
     15       8.4695     -0.00000
     16       8.8352      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75864
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.2874     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75867
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.3122     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75861
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.2850     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75863
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.4168     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75860
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9248     -0.00000
     16       8.3483     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9545      1.00000
      2      -2.9805      1.00000
      3      -1.6101      1.00000
      4      -1.2238      1.00000
      5      -0.3548      1.00000
      6       0.1813      1.00000
      7       1.3005      1.00000
      8       2.8174      1.00500
      9       3.1804      0.75865
     10       4.0657     -0.00000
     11       4.8235     -0.00000
     12       5.6198     -0.00000
     13       5.8942     -0.00000
     14       6.7790     -0.00000
     15       7.9265     -0.00000
     16       8.3251     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01177
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8905     -0.00000
     16       7.9388     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01176
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8849     -0.00000
     16       7.9365     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2019      1.00000
      2      -3.2283      1.00000
      3      -1.8460      1.00000
      4      -0.0612      1.00000
      5       1.1929      1.00000
      6       1.1997      1.00000
      7       1.7521      1.00000
      8       2.1570      1.00000
      9       2.9177      1.02138
     10       3.4251     -0.01176
     11       4.2041     -0.00000
     12       5.3083     -0.00000
     13       5.3561     -0.00000
     14       6.0231     -0.00000
     15       7.8897     -0.00000
     16       7.9362     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6950      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6179     -0.00000
     15       7.3072     -0.00000
     16       7.6575     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6950      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6179     -0.00000
     15       7.3070     -0.00000
     16       7.6388     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7239      1.00000
      2      -1.6950      1.00000
      3      -0.7782      1.00000
      4      -0.7417      1.00000
      5       0.3531      1.00000
      6       0.7248      1.00000
      7       0.9911      1.00000
      8       1.7608      1.00000
      9       2.3181      1.00000
     10       2.5799      1.00001
     11       3.9091     -0.00001
     12       5.2122     -0.00000
     13       5.4553     -0.00000
     14       5.6179     -0.00000
     15       7.3071     -0.00000
     16       7.6411     -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
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.240 -62.084  -0.000  -0.081  -0.000   0.000  -0.023   0.000
-62.084  33.160   0.000   0.034   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.115   0.000   0.000  -0.328  -0.000  -0.000
 -0.081   0.034   0.000   1.661   0.000  -0.000  -0.255  -0.000
 -0.000   0.000   0.000   0.000   2.115  -0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000  -0.000   0.051   0.000   0.000
 -0.023   0.013  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000  -0.000  -0.000  -0.328   0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    200.7295: real time    201.4455
    FORNL :  cpu time      0.0793: real time      0.0796
    FORCOR:  cpu time      1.1854: real time      1.1882
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.519E-05 -.271E-05 0.184E+03   0.506E-13 0.260E-13 -.183E+03   0.548E-05 0.217E-05 -.122E+01
   -.338E-05 -.171E-05 0.927E+02   0.476E-14 0.272E-14 -.928E+02   0.415E-05 0.282E-05 0.186E+00
   -.833E-06 0.106E-05 -.679E+00   -.150E-12 -.877E-13 0.662E+00   0.172E-05 0.936E-06 0.449E-01
   -.545E-05 -.410E-05 -.936E+02   0.142E-12 0.861E-13 0.936E+02   0.936E-05 0.915E-05 0.224E-02
   0.428E-05 -.225E-05 -.183E+03   -.434E-13 -.236E-13 0.182E+03   -.381E-05 0.397E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.108E-04 -.103E-04 -.588E-02   0.439E-14 0.346E-14 0.284E-13   0.169E-04 0.190E-04 0.233E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000003     -0.093174
      0.00000      0.00000      2.33311         0.000000     -0.000000      0.092149
      1.42873      0.82488      4.62870        -0.000001     -0.000000      0.022585
      2.85746      1.64976      6.93214         0.000003      0.000004     -0.028567
      0.00000      0.00000      9.30674        -0.000001     -0.000000      0.007006
 -----------------------------------------------------------------------------------
    total drift:                                0.000007      0.000010      0.019874


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88871197 eV

  energy  without entropy=      -13.89035926  energy(sigma->0) =      -13.88926107
 
 d Force = 0.2705355E-04[ 0.102E-04, 0.439E-04]  d Energy = 0.6677421E-04-0.397E-04
 d Force =-0.1612378E+01[-0.161E+01,-0.161E+01]  d Ewald  =-0.1612378E+01 0.191E-07


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


    POTLOK:  cpu time      1.1915: real time      1.1943


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0838
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1960: real time      1.1988
    EDDIAG:  cpu time    255.8248: real time    256.7924
    CHARGE:  cpu time      0.1051: real time      0.1055
 writing wavefunctions
     LOOP+:  cpu time   3530.4199: real time   3544.3598


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


    POTLOK:  cpu time      0.4188: real time      0.4201
    SETDIJ:  cpu time      0.7699: real time      0.7712
    TRIAL :  cpu time    254.0436: real time    254.9964
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1059: real time      0.1062
    --------------------------------------------
      LOOP:  cpu time    255.3424: real time    256.4501

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2987274E-02  (-0.1492400E-02)
 number of electron      15.0000000 magnetization      -0.0000037
 augmentation part       -0.0008046 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.56626885
  -exchange      EXHF   =        33.38331853
  -V(xc)+E(xc)   XCENC  =       -83.51707247
  PAW double counting   =    101620.89840215  -101519.94818132
  entropy T*S    EENTRO =         0.00206988
  eigenvalues    EBANDS =       -35.17476893
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88571683 eV

  energy without entropy =      -13.88778671  energy(sigma->0) =      -13.88640679
  exchange ACFDT corr.  =        -0.00163934  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7717: real time      0.7731
    TRIAL :  cpu time    253.8373: real time    254.7830
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1061: real time      0.1065
    --------------------------------------------
      LOOP:  cpu time    255.1386: real time    256.0874

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9645369E-03  (-0.1323054E-02)
 number of electron      15.0000000 magnetization      -0.0000042
 augmentation part       -0.0007977 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.79334146
  -exchange      EXHF   =        33.38444997
  -V(xc)+E(xc)   XCENC  =       -83.51673749
  PAW double counting   =    101620.09577049  -101519.14554911
  entropy T*S    EENTRO =         0.00208377
  eigenvalues    EBANDS =       -34.95014885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88668137 eV

  energy without entropy =      -13.88876513  energy(sigma->0) =      -13.88737595
  exchange ACFDT corr.  =        -0.00162846  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7691: real time      0.7706
    TRIAL :  cpu time    253.6512: real time    254.6262
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1054: real time      0.1058
    --------------------------------------------
      LOOP:  cpu time    254.9494: real time    255.9276

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9291317E-03  (-0.6322053E-03)
 number of electron      15.0000000 magnetization      -0.0000046
 augmentation part       -0.0007904 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.89234105
  -exchange      EXHF   =        33.38541858
  -V(xc)+E(xc)   XCENC  =       -83.51648277
  PAW double counting   =    101619.35892967  -101518.40874241
  entropy T*S    EENTRO =         0.00206622
  eigenvalues    EBANDS =       -34.85328150
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88761050 eV

  energy without entropy =      -13.88967672  energy(sigma->0) =      -13.88829924
  exchange ACFDT corr.  =        -0.00162252  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7727: real time      0.7741
    TRIAL :  cpu time    253.9937: real time    254.9562
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1058: real time      0.1062
    --------------------------------------------
      LOOP:  cpu time    255.2958: real time    256.2614

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5003919E-03  (-0.3614941E-03)
 number of electron      15.0000000 magnetization      -0.0000048
 augmentation part       -0.0007834 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.80654097
  -exchange      EXHF   =        33.38575174
  -V(xc)+E(xc)   XCENC  =       -83.51642738
  PAW double counting   =    101619.29543205  -101518.34525047
  entropy T*S    EENTRO =         0.00204778
  eigenvalues    EBANDS =       -34.93994728
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88811089 eV

  energy without entropy =      -13.89015867  energy(sigma->0) =      -13.88879348
  exchange ACFDT corr.  =        -0.00163437  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4218
    SETDIJ:  cpu time      0.7686: real time      0.7700
    TRIAL :  cpu time    253.8722: real time    254.8407
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    255.1700: real time    256.1416

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2494697E-03  (-0.2237663E-03)
 number of electron      15.0000000 magnetization      -0.0000050
 augmentation part       -0.0007767 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.73125134
  -exchange      EXHF   =        33.38591816
  -V(xc)+E(xc)   XCENC  =       -83.51640348
  PAW double counting   =    101620.39221600  -101519.44196577
  entropy T*S    EENTRO =         0.00204854
  eigenvalues    EBANDS =       -35.01572691
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88836036 eV

  energy without entropy =      -13.89040890  energy(sigma->0) =      -13.88904320
  exchange ACFDT corr.  =        -0.00164567  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4230: real time      0.4245
    SETDIJ:  cpu time      0.7680: real time      0.7697
    TRIAL :  cpu time    253.8482: real time    254.8012
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1053: real time      0.1057
    --------------------------------------------
      LOOP:  cpu time    255.1471: real time    256.1036

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1598596E-03  (-0.1099314E-03)
 number of electron      15.0000000 magnetization      -0.0000051
 augmentation part       -0.0007709 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.75927570
  -exchange      EXHF   =        33.38620739
  -V(xc)+E(xc)   XCENC  =       -83.51631638
  PAW double counting   =    101623.27217879  -101522.32197163
  entropy T*S    EENTRO =         0.00205136
  eigenvalues    EBANDS =       -34.98819643
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88852022 eV

  energy without entropy =      -13.89057158  energy(sigma->0) =      -13.88920401
  exchange ACFDT corr.  =        -0.00164473  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4217: real time      0.4232
    SETDIJ:  cpu time      0.7709: real time      0.7724
    TRIAL :  cpu time    253.8551: real time    254.8387
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1057: real time      0.1061
    --------------------------------------------
      LOOP:  cpu time    255.1559: real time    256.1429

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8848150E-04  (-0.6854120E-04)
 number of electron      15.0000000 magnetization      -0.0000052
 augmentation part       -0.0007659 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.81085039
  -exchange      EXHF   =        33.38642037
  -V(xc)+E(xc)   XCENC  =       -83.51623988
  PAW double counting   =    101626.26311491  -101525.31293187
  entropy T*S    EENTRO =         0.00204910
  eigenvalues    EBANDS =       -34.93697842
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88860870 eV

  energy without entropy =      -13.89065780  energy(sigma->0) =      -13.88929173
  exchange ACFDT corr.  =        -0.00164182  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4221
    SETDIJ:  cpu time      0.7691: real time      0.7704
    TRIAL :  cpu time    253.3681: real time    254.3246
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1059: real time      0.1063
    --------------------------------------------
      LOOP:  cpu time    254.6664: real time    255.6260

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5226503E-04  (-0.4807286E-04)
 number of electron      15.0000000 magnetization      -0.0000052
 augmentation part       -0.0007611 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.81994358
  -exchange      EXHF   =        33.38645206
  -V(xc)+E(xc)   XCENC  =       -83.51622330
  PAW double counting   =    101629.19068128  -101528.24042905
  entropy T*S    EENTRO =         0.00204563
  eigenvalues    EBANDS =       -34.92805269
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88866096 eV

  energy without entropy =      -13.89070659  energy(sigma->0) =      -13.88934284
  exchange ACFDT corr.  =        -0.00164175  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4217
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    253.7626: real time    254.7168
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    255.0592: real time    256.0165

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3679263E-04  (-0.2644756E-04)
 number of electron      15.0000000 magnetization      -0.0000052
 augmentation part       -0.0007564 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.79959048
  -exchange      EXHF   =        33.38639251
  -V(xc)+E(xc)   XCENC  =       -83.51624358
  PAW double counting   =    101632.84828553  -101531.89799226
  entropy T*S    EENTRO =         0.00204282
  eigenvalues    EBANDS =       -34.94840030
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869776 eV

  energy without entropy =      -13.89074058  energy(sigma->0) =      -13.88937870
  exchange ACFDT corr.  =        -0.00164255  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7695: real time      0.7709
    TRIAL :  cpu time    254.1539: real time    255.1081
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1065: real time      0.1069
    --------------------------------------------
      LOOP:  cpu time    255.4532: real time    256.4106

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2201997E-04  (-0.1623892E-04)
 number of electron      15.0000000 magnetization      -0.0000051
 augmentation part       -0.0007518 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.78588372
  -exchange      EXHF   =        33.38634731
  -V(xc)+E(xc)   XCENC  =       -83.51626178
  PAW double counting   =    101637.60889619  -101536.65860813
  entropy T*S    EENTRO =         0.00204279
  eigenvalues    EBANDS =       -34.96205767
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88871978 eV

  energy without entropy =      -13.89076257  energy(sigma->0) =      -13.88940071
  exchange ACFDT corr.  =        -0.00164308  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4214: real time      0.4228
    SETDIJ:  cpu time      0.7709: real time      0.7723
    TRIAL :  cpu time    254.1879: real time    255.1365
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    255.4892: real time    256.4409

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1304312E-04  (-0.1005824E-04)
 number of electron      15.0000000 magnetization      -0.0000050
 augmentation part       -0.0007469 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.79119889
  -exchange      EXHF   =        33.38636001
  -V(xc)+E(xc)   XCENC  =       -83.51626109
  PAW double counting   =    101643.04733408  -101542.09701430
  entropy T*S    EENTRO =         0.00204407
  eigenvalues    EBANDS =       -34.95680064
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88873282 eV

  energy without entropy =      -13.89077689  energy(sigma->0) =      -13.88941418
  exchange ACFDT corr.  =        -0.00164215  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7720: real time      0.7735
    TRIAL :  cpu time    254.0518: real time    255.0243
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    254.9152: real time    255.8712
    CHARGE:  cpu time      0.1058: real time      0.1062
    --------------------------------------------
      LOOP:  cpu time    510.2683: real time    512.2000

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7853890E-05  (-0.5180981E-05)
 number of electron      15.0000000 magnetization      -0.0000049
 augmentation part       -0.0007424 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       419.45542096
  -Hartree energ DENC   =      -717.80055774
  -exchange      EXHF   =        33.38640902
  -V(xc)+E(xc)   XCENC  =       -83.51625278
  PAW double counting   =    101649.21529337  -101548.26497936
  entropy T*S    EENTRO =         0.00204382
  eigenvalues    EBANDS =       -34.94748860
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88874067 eV

  energy without entropy =      -13.89078449  energy(sigma->0) =      -13.88942195
  exchange ACFDT corr.  =        -0.00164063  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0098


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8032       2 -69.6997       3 -69.7520       4 -69.7110       5 -69.8395
 
 
 
 E-fermi :   3.2372     XC(G=0):  -5.1065     alpha+bet : -8.9779

 Fermi energy:         3.2371941148

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9266      1.00000
      2      -9.9522      1.00000
      3      -8.5802      1.00000
      4      -6.7198      1.00000
      5      -4.2244      1.00000
      6      -1.5029      1.00000
      7       1.8024      1.00000
      8       4.6984     -0.00000
      9       5.3696     -0.00000
     10       7.9197     -0.00000
     11       8.0225     -0.00000
     12      11.8931      0.00000
     13      12.2215      0.00000
     14      16.0161      0.00000
     15      16.0310      0.00000
     16      16.0440      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.1347      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.1386      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.2660      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9360      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.2717      0.00000
     16      12.6263      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9360      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.3046      0.00000
     16      12.6265      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9360      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.2715      0.00000
     16      12.6267      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.9029      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.8875      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.8875      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9686      0.00000
     16      10.8697      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9684      0.00000
     16      10.9171      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9684      0.00000
     16      10.8536      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8179      0.00000
     15       9.9947      0.00000
     16      10.5068      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8178      0.00000
     15       9.9949      0.00000
     16      10.5202      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8178      0.00000
     15       9.9941      0.00000
     16      10.5190      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9411      0.00000
     13      10.9819      0.00000
     14      11.5203      0.00000
     15      11.6824      0.00000
     16      12.5951      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9410      0.00000
     13      10.9819      0.00000
     14      11.5204      0.00000
     15      11.6827      0.00000
     16      12.5509      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9410      0.00000
     13      10.9819      0.00000
     14      11.5204      0.00000
     15      11.6833      0.00000
     16      12.5751      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2430      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2431      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4739     -0.03514
      8       6.0167     -0.00000
      9       6.7295     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6561      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85242
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6563      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6923     -0.00000
     14       8.4542     -0.00000
     15       8.9452      0.00000
     16       9.5897      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9495      0.00000
     16       9.6885      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4084      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6923     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4172      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4082      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4075      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1777     -0.00000
     15       9.0494      0.00000
     16       9.3235      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1778     -0.00000
     15       9.0494      0.00000
     16       9.3182      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1777     -0.00000
     15       9.0494      0.00000
     16       9.3204      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5818      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.4052      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5818      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.4208      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5818      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.4056      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4683     -0.00000
     16       8.8422      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4675     -0.00000
     16       8.8388      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4666     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4658     -0.00000
     16       8.8345      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4669     -0.00000
     16       8.8455      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4918     -0.00000
     16       8.8617      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74594
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9248     -0.00000
     16       8.2796     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74591
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.3446     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74597
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.3826     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74591
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9245     -0.00000
     16       8.3069     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74597
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9246     -0.00000
     16       8.2763     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74591
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9246     -0.00000
     16       8.4047     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0689      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02378
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8945     -0.00000
     16       7.9402     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0690      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02378
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8934     -0.00000
     16       7.9382     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0689      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02379
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8958     -0.00000
     16       7.9383     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3070     -0.00000
     16       7.6394     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3070     -0.00000
     16       7.6665     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3071     -0.00000
     16       7.6496     -0.00000
 Fermi energy:         3.2371941148

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9266      1.00000
      2      -9.9522      1.00000
      3      -8.5802      1.00000
      4      -6.7198      1.00000
      5      -4.2244      1.00000
      6      -1.5029      1.00000
      7       1.8024      1.00000
      8       4.6984     -0.00000
      9       5.3696     -0.00000
     10       7.9197     -0.00000
     11       8.0225     -0.00000
     12      11.8931      0.00000
     13      12.2215      0.00000
     14      16.0190      0.00000
     15      16.0269      0.00000
     16      16.1252      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.1512      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.1368      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6790      1.00000
      2      -9.7039      1.00000
      3      -8.3306      1.00000
      4      -6.4684      1.00000
      5      -3.9676      1.00000
      6      -1.2521      1.00000
      7       2.0565      1.00000
      8       4.9163     -0.00000
      9       5.5772     -0.00000
     10       8.1188     -0.00000
     11       8.2178     -0.00000
     12      12.0244      0.00000
     13      12.3137      0.00000
     14      12.7970      0.00000
     15      13.5918      0.00000
     16      14.1404      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9361      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.2727      0.00000
     16      12.6258      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9361      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.2712      0.00000
     16      12.6265      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9361      1.00000
      2      -8.9588      1.00000
      3      -7.5817      1.00000
      4      -5.7148      1.00000
      5      -3.2004      1.00000
      6      -0.5033      1.00000
      7       2.7907      1.00348
      8       5.5395     -0.00000
      9       6.1905     -0.00000
     10       8.3710     -0.00000
     11       8.7578      0.00000
     12       9.2681      0.00000
     13       9.7156      0.00000
     14      10.8020      0.00000
     15      12.2713      0.00000
     16      12.6262      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.8875      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.8875      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6970      1.00000
      2      -7.7157      1.00000
      3      -6.3322      1.00000
      4      -4.4605      1.00000
      5      -1.9347      1.00000
      6       0.7185      1.00000
      7       3.7752     -0.00048
      8       4.9940     -0.00000
      9       5.9601     -0.00000
     10       6.7305     -0.00000
     11       7.1832     -0.00000
     12       7.3374     -0.00000
     13       8.7934      0.00000
     14       9.7317      0.00000
     15       9.9822      0.00000
     16      10.8875      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9684      0.00000
     16      10.8440      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9684      0.00000
     16      10.8812      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9593      1.00000
      2      -5.9714      1.00000
      3      -4.5812      1.00000
      4      -2.7154      1.00000
      5      -0.2576      1.00000
      6       1.1546      1.00000
      7       2.0877      1.00000
      8       2.8639      1.01193
      9       3.7687     -0.00056
     10       5.4607     -0.00000
     11       5.7519     -0.00000
     12       7.7466     -0.00000
     13       8.2275     -0.00000
     14       8.6944     -0.00000
     15       9.9684      0.00000
     16      10.9305      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8178      0.00000
     15       9.9951      0.00000
     16      10.5068      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8181      0.00000
     15       9.9956      0.00000
     16      10.4107      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7192      1.00000
      2      -3.7265      1.00000
      3      -2.3500      1.00000
      4      -1.9891      1.00000
      5      -1.0882      1.00000
      6      -0.5399      1.00000
      7       0.5740      1.00000
      8       2.1920      1.00000
      9       2.5960      1.00003
     10       4.6688     -0.00000
     11       4.8970     -0.00000
     12       7.1661     -0.00000
     13       7.6793     -0.00000
     14       9.8179      0.00000
     15       9.9943      0.00000
     16      10.5120      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9410      0.00000
     13      10.9819      0.00000
     14      11.5204      0.00000
     15      11.6828      0.00000
     16      12.5597      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9410      0.00000
     13      10.9819      0.00000
     14      11.5204      0.00000
     15      11.6824      0.00000
     16      12.5719      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1837      1.00000
      2      -9.2072      1.00000
      3      -7.8314      1.00000
      4      -5.9660      1.00000
      5      -3.4556      1.00000
      6      -0.7521      1.00000
      7       2.5516      1.00001
      8       5.3409     -0.00000
      9       5.9889     -0.00000
     10       8.4961     -0.00000
     11       8.5688     -0.00000
     12      10.9410      0.00000
     13      10.9819      0.00000
     14      11.5203      0.00000
     15      11.6827      0.00000
     16      12.5399      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2434      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2431      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1927      1.00000
      2      -8.2132      1.00000
      3      -6.8322      1.00000
      4      -4.9620      1.00000
      5      -2.4384      1.00000
      6       0.2374      1.00000
      7       3.4738     -0.03514
      8       6.0167     -0.00000
      9       6.7294     -0.00000
     10       7.2646     -0.00000
     11       7.9084     -0.00000
     12       8.9459      0.00000
     13       9.1568      0.00000
     14       9.6026      0.00000
     15       9.7999      0.00000
     16      10.2429      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85244
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85243
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6566      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85244
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85244
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85245
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7043      1.00000
      2      -6.7196      1.00000
      3      -5.3316      1.00000
      4      -3.4604      1.00000
      5      -0.9441      1.00000
      6       1.6224      1.00000
      7       3.1442      0.85244
      8       4.2114     -0.00000
      9       5.1651     -0.00000
     10       5.6033     -0.00000
     11       7.1562     -0.00000
     12       7.5098     -0.00000
     13       8.0504     -0.00000
     14       8.4747     -0.00000
     15       9.0285      0.00000
     16       9.6562      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4099      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.6217      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4078      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4075      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6922     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.4103      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7145      1.00000
      2      -4.7235      1.00000
      3      -3.3336      1.00000
      4      -1.4999      1.00000
      5      -0.2955      1.00000
      6       0.4679      1.00000
      7       1.3401      1.00000
      8       2.4133      1.00000
      9       3.7939     -0.00030
     10       4.0877     -0.00000
     11       6.2678     -0.00000
     12       6.7419     -0.00000
     13       7.6923     -0.00000
     14       8.4541     -0.00000
     15       8.9452      0.00000
     16       9.5573      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1777     -0.00000
     15       9.0494      0.00000
     16       9.3186      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1777     -0.00000
     15       9.0494      0.00000
     16       9.3189      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2373      1.00000
      2      -3.2114      1.00000
      3      -2.2408      1.00000
      4      -2.2392      1.00000
      5      -1.0936      1.00000
      6      -0.6981      1.00000
      7       0.8134      1.00000
      8       1.5793      1.00000
      9       3.6097     -0.01221
     10       3.7682     -0.00058
     11       5.8256     -0.00000
     12       6.2252     -0.00000
     13       7.3467     -0.00000
     14       8.1777     -0.00000
     15       9.0494      0.00000
     16       9.3179      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5819      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.5168      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5819      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.5073      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9523      1.00000
      2      -6.9688      1.00000
      3      -5.5819      1.00000
      4      -3.7102      1.00000
      5      -1.1867      1.00000
      6       1.4356      1.00000
      7       4.3431     -0.00000
      8       5.4277     -0.00000
      9       5.8363     -0.00000
     10       6.4753     -0.00000
     11       6.7966     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9017     -0.00000
     15       8.0130     -0.00000
     16       9.4083      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4666     -0.00000
     16       8.8353      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4716     -0.00000
     16       8.8398      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4701     -0.00000
     16       8.8468      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4664     -0.00000
     16       8.8342      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4670     -0.00000
     16       8.8949      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2112      1.00000
      2      -5.2228      1.00000
      3      -3.8310      1.00000
      4      -1.9742      1.00000
      5       0.4562      1.00000
      6       1.8836      1.00000
      7       2.7652      1.00210
      8       3.5161     -0.03205
      9       4.4301     -0.00000
     10       4.5784     -0.00000
     11       5.4815     -0.00000
     12       6.0595     -0.00000
     13       6.6826     -0.00000
     14       7.1660     -0.00000
     15       8.4668     -0.00000
     16       8.8343      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74597
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.2835     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74602
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.2998     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74595
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.2775     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74596
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9245     -0.00000
     16       8.4180     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74592
     10       4.0551     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9244     -0.00000
     16       8.3459     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9664      1.00000
      2      -2.9786      1.00000
      3      -1.6079      1.00000
      4      -1.2358      1.00000
      5      -0.3553      1.00000
      6       0.1773      1.00000
      7       1.3005      1.00000
      8       2.8170      1.00566
      9       3.1767      0.74599
     10       4.0550     -0.00000
     11       4.8268     -0.00000
     12       5.6189     -0.00000
     13       5.8970     -0.00000
     14       6.7814     -0.00000
     15       7.9259     -0.00000
     16       8.3128     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0690      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02379
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8950     -0.00000
     16       7.9402     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0690      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02379
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8908     -0.00000
     16       7.9386     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2137      1.00000
      2      -3.2264      1.00000
      3      -1.8436      1.00000
      4      -0.0690      1.00000
      5       1.1804      1.00000
      6       1.1879      1.00000
      7       1.7562      1.00000
      8       2.1564      1.00000
      9       2.9205      1.02379
     10       3.4278     -0.01936
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3490     -0.00000
     14       6.0165     -0.00000
     15       7.8945     -0.00000
     16       7.9383     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3073     -0.00000
     16       7.6535     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3070     -0.00000
     16       7.6396     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7359      1.00000
      2      -1.7069      1.00000
      3      -0.7788      1.00000
      4      -0.7377      1.00000
      5       0.3567      1.00000
      6       0.7251      1.00000
      7       0.9801      1.00000
      8       1.7592      1.00000
      9       2.3135      1.00000
     10       2.5766      1.00002
     11       3.9072     -0.00001
     12       5.2105     -0.00000
     13       5.4620     -0.00000
     14       5.6148     -0.00000
     15       7.3072     -0.00000
     16       7.6427     -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
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.490   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.258 -62.093  -0.000  -0.081  -0.000   0.000  -0.022   0.000
-62.093  33.165   0.000   0.035   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.114   0.000  -0.000  -0.328  -0.000   0.000
 -0.081   0.035   0.000   1.661   0.000  -0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
  0.000  -0.000  -0.328  -0.000   0.000   0.051   0.000  -0.000
 -0.022   0.013  -0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    201.4058: real time    202.1295
    FORNL :  cpu time      0.0782: real time      0.0785
    FORCOR:  cpu time      1.1863: real time      1.1890
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.115E-04 -.319E-05 0.185E+03   0.507E-13 0.260E-13 -.183E+03   0.117E-04 0.199E-05 -.122E+01
   0.897E-05 0.302E-05 0.929E+02   0.407E-14 0.450E-14 -.930E+02   -.109E-04 -.318E-05 0.204E+00
   0.192E-05 -.599E-05 -.318E+00   -.156E-12 -.847E-13 0.349E+00   0.132E-05 0.933E-05 -.644E-01
   0.790E-05 -.145E-04 -.942E+02   0.145E-12 0.755E-13 0.941E+02   -.680E-05 0.135E-04 0.110E+00
   0.104E-04 -.766E-05 -.183E+03   -.386E-13 -.178E-13 0.182E+03   -.956E-05 0.972E-05 0.972E+00
 -----------------------------------------------------------------------------------------------
   0.190E-04 -.296E-04 0.710E-02   0.439E-14 0.346E-14 0.000E+00   -.142E-04 0.314E-04 -.193E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000002     -0.090579
      0.00000      0.00000      2.33311        -0.000003     -0.000001      0.102221
      1.42873      0.82488      4.63217         0.000002      0.000002     -0.032989
      2.85746      1.64976      6.92079         0.000001     -0.000002      0.029444
      0.00000      0.00000      9.30191         0.000000      0.000002     -0.008097
 -----------------------------------------------------------------------------------
    total drift:                                0.000005      0.000003      0.005935


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88874067 eV

  energy  without entropy=      -13.89078449  energy(sigma->0) =      -13.88942195
 
 d Force =-0.2037106E-04[-0.410E-03, 0.369E-03]  d Energy = 0.2870481E-04-0.491E-04
 d Force =-0.1942954E+01[-0.195E+01,-0.194E+01]  d Ewald  =-0.1942955E+01 0.152E-05


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


    POTLOK:  cpu time      1.1914: real time      1.1941


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000029  1 .order    0.000020   -0.000369    0.000410
  (g-gl).g = 0.549E-04      g.g   = 0.663E-04  gl.gl    = 0.766E-04
 g(Force)  = 0.663E-04   g(Stress)= 0.000E+00 ortho     = 0.256E-05
 gamma     =   0.71683
 trial     =   5.40983
 opt step  =   3.06581  (harmonic =   2.56335) maximal distance =0.00196327
 next E    =   -13.888825   (d E  =  -0.00011)


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


    WAVPRE:  cpu time      0.0034: real time      0.0648
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1899: real time      1.1927
    EDDIAG:  cpu time    255.8449: real time    256.8748
    CHARGE:  cpu time      0.1100: real time      0.1104
 writing wavefunctions
     LOOP+:  cpu time   3778.7941: real time   3793.5567


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


    POTLOK:  cpu time      0.4187: real time      0.4201
    SETDIJ:  cpu time      0.7679: real time      0.7693
    TRIAL :  cpu time    254.3200: real time    255.2861
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1107: real time      0.1111
    --------------------------------------------
      LOOP:  cpu time    255.6215: real time    256.6888

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4140194E-03  (-0.2602201E-03)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0007681 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.99908774
  -exchange      EXHF   =        33.38425130
  -V(xc)+E(xc)   XCENC  =       -83.51689582
  PAW double counting   =    101631.09322086  -101530.14275739
  entropy T*S    EENTRO =         0.00187217
  eigenvalues    EBANDS =       -34.90298224
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88831880 eV

  energy without entropy =      -13.89019097  energy(sigma->0) =      -13.88894286
  exchange ACFDT corr.  =        -0.00172566  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7705: real time      0.7718
    TRIAL :  cpu time    254.6078: real time    255.5660
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1112: real time      0.1116
    --------------------------------------------
      LOOP:  cpu time    255.9136: real time    256.8750

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1879552E-03  (-0.2468679E-03)
 number of electron      15.0000000 magnetization      -0.0000031
 augmentation part       -0.0007698 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.97832750
  -exchange      EXHF   =        33.38394982
  -V(xc)+E(xc)   XCENC  =       -83.51697588
  PAW double counting   =    101629.52242272  -101528.57195580
  entropy T*S    EENTRO =         0.00187072
  eigenvalues    EBANDS =       -34.92355316
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88850676 eV

  energy without entropy =      -13.89037747  energy(sigma->0) =      -13.88913033
  exchange ACFDT corr.  =        -0.00172422  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7698: real time      0.7712
    TRIAL :  cpu time    254.5056: real time    255.4527
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1106: real time      0.1110
    --------------------------------------------
      LOOP:  cpu time    255.8091: real time    256.7593

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1756149E-03  (-0.1149316E-03)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0007726 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.96563930
  -exchange      EXHF   =        33.38358433
  -V(xc)+E(xc)   XCENC  =       -83.51706878
  PAW double counting   =    101627.96558538  -101527.01511020
  entropy T*S    EENTRO =         0.00187493
  eigenvalues    EBANDS =       -34.93596541
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88868237 eV

  energy without entropy =      -13.89055730  energy(sigma->0) =      -13.88930735
  exchange ACFDT corr.  =        -0.00172382  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4222: real time      0.4236
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    254.0427: real time    254.9839
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1108: real time      0.1112
    --------------------------------------------
      LOOP:  cpu time    255.3496: real time    256.2940

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8295970E-04  (-0.5200912E-04)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0007747 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.97378893
  -exchange      EXHF   =        33.38335221
  -V(xc)+E(xc)   XCENC  =       -83.51712927
  PAW double counting   =    101627.31744587  -101526.36697195
  entropy T*S    EENTRO =         0.00187976
  eigenvalues    EBANDS =       -34.92760908
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88876533 eV

  energy without entropy =      -13.89064509  energy(sigma->0) =      -13.88939192
  exchange ACFDT corr.  =        -0.00172054  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    253.7975: real time    254.7662
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1113: real time      0.1117
    --------------------------------------------
      LOOP:  cpu time    255.1003: real time    256.0723

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3245748E-04  (-0.2551749E-04)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0007755 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.98117810
  -exchange      EXHF   =        33.38323759
  -V(xc)+E(xc)   XCENC  =       -83.51715963
  PAW double counting   =    101628.63210618  -101527.68163876
  entropy T*S    EENTRO =         0.00188071
  eigenvalues    EBANDS =       -34.92010571
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879779 eV

  energy without entropy =      -13.89067849  energy(sigma->0) =      -13.88942469
  exchange ACFDT corr.  =        -0.00171748  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7722: real time      0.7735
    TRIAL :  cpu time    254.2397: real time    255.1771
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1106: real time      0.1110
    --------------------------------------------
      LOOP:  cpu time    255.5455: real time    256.4860

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1564700E-04  (-0.1020832E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0007755 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.97625514
  -exchange      EXHF   =        33.38317525
  -V(xc)+E(xc)   XCENC  =       -83.51717676
  PAW double counting   =    101631.54058538  -101530.59013280
  entropy T*S    EENTRO =         0.00188168
  eigenvalues    EBANDS =       -34.92495095
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881344 eV

  energy without entropy =      -13.89069511  energy(sigma->0) =      -13.88944066
  exchange ACFDT corr.  =        -0.00171714  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7725: real time      0.7740
    TRIAL :  cpu time    254.6941: real time    255.6721
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    255.3161: real time    256.2745
    CHARGE:  cpu time      0.1103: real time      0.1107
    --------------------------------------------
      LOOP:  cpu time    511.3173: real time    513.2570

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7423868E-05  (-0.6178051E-05)
 number of electron      15.0000000 magnetization      -0.0000021
 augmentation part       -0.0007750 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61267664
  -Hartree energ DENC   =      -716.97088814
  -exchange      EXHF   =        33.38317908
  -V(xc)+E(xc)   XCENC  =       -83.51718029
  PAW double counting   =    101634.73581853  -101533.78537071
  entropy T*S    EENTRO =         0.00188285
  eigenvalues    EBANDS =       -34.93030575
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882086 eV

  energy without entropy =      -13.89070371  energy(sigma->0) =      -13.88944847
  exchange ACFDT corr.  =        -0.00171701  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1191


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8064       2 -69.7026       3 -69.7538       4 -69.7086       5 -69.8334
 
 
 
 E-fermi :   3.2414     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2414167021

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9220      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7164      1.00000
      5      -4.2261      1.00000
      6      -1.5027      1.00000
      7       1.7987      1.00000
      8       4.6983     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0217     -0.00000
     12      11.8935      0.00000
     13      12.2203      0.00000
     14      16.0220      0.00000
     15      16.0323      0.00000
     16      16.0456      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.1424      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.2537      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.2739      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.3024      0.00000
     16      12.6271      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.2738      0.00000
     16      12.6274      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8977      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8591      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9685      0.00000
     16      10.9156      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9685      0.00000
     16      10.8473      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8159      0.00000
     15       9.9948      0.00000
     16      10.5054      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8159      0.00000
     15       9.9950      0.00000
     16      10.5196      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8159      0.00000
     15       9.9943      0.00000
     16      10.5184      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5208      0.00000
     15      11.6807      0.00000
     16      12.5920      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5209      0.00000
     15      11.6809      0.00000
     16      12.5472      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5209      0.00000
     15      11.6813      0.00000
     16      12.5725      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2435      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2437      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84767
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84767
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84766
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84767
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84766
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84767
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6542      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4542     -0.00000
     15       8.9432      0.00000
     16       9.5711      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9463      0.00000
     16       9.6830      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4090      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4149      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4088      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4083      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3200      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3153      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3172      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4079      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4213      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4082      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4687     -0.00000
     16       8.8409      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4680     -0.00000
     16       8.8380      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4674     -0.00000
     16       8.8331      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4668     -0.00000
     16       8.8344      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4676     -0.00000
     16       8.8430      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4876     -0.00000
     16       8.8570      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9249     -0.00000
     16       8.2813     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75114
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3387     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3747     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3045     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9247     -0.00000
     16       8.2777     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9247     -0.00000
     16       8.3964     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01602
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8914     -0.00000
     16       7.9387     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01603
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8906     -0.00000
     16       7.9373     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01603
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8926     -0.00000
     16       7.9373     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9846      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6387     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9846      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6646     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9846      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6494     -0.00000
 Fermi energy:         3.2414167021

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9220      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7164      1.00000
      5      -4.2261      1.00000
      6      -1.5027      1.00000
      7       1.7987      1.00000
      8       4.6983     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0217     -0.00000
     12      11.8935      0.00000
     13      12.2203      0.00000
     14      16.0247      0.00000
     15      16.0320      0.00000
     16      16.1163      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.1529      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.1408      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6744      1.00000
      2      -9.7046      1.00000
      3      -8.3312      1.00000
      4      -6.4651      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3134      0.00000
     14      12.8000      0.00000
     15      13.5916      0.00000
     16      14.1439      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.2747      0.00000
     16      12.6265      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.2734      0.00000
     16      12.6273      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9315      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7115      1.00000
      5      -3.2021      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00306
      8       5.5393     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2690      0.00000
     13       9.7161      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6924      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4571      1.00000
      5      -1.9364      1.00000
      6       0.7188      1.00000
      7       3.7738     -0.00054
      8       4.9966     -0.00000
      9       5.9590     -0.00000
     10       6.7308     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7966      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9685      0.00000
     16      10.8329      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9685      0.00000
     16      10.8783      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9545      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7120      1.00000
      5      -0.2589      1.00000
      6       1.1591      1.00000
      7       2.0880      1.00000
      8       2.8636      1.01130
      9       3.7679     -0.00062
     10       5.4634     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9685      0.00000
     16      10.9305      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8159      0.00000
     15       9.9952      0.00000
     16      10.5055      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8160      0.00000
     15       9.9956      0.00000
     16      10.4052      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7272      1.00000
      3      -2.3508      1.00000
      4      -1.9841      1.00000
      5      -1.0879      1.00000
      6      -0.5381      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5971      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8159      0.00000
     15       9.9945      0.00000
     16      10.5109      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5209      0.00000
     15      11.6809      0.00000
     16      12.5575      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5209      0.00000
     15      11.6807      0.00000
     16      12.5696      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1791      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9626      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4959     -0.00000
     11       8.5683     -0.00000
     12      10.9460      0.00000
     13      10.9858      0.00000
     14      11.5208      0.00000
     15      11.6808      0.00000
     16      12.5380      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2442      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2437      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2435      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1881      1.00000
      2      -8.2139      1.00000
      3      -6.8328      1.00000
      4      -4.9586      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4707     -0.03448
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2679     -0.00000
     11       7.9075     -0.00000
     12       8.9482      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6996      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4570      1.00000
      5      -0.9458      1.00000
      6       1.6229      1.00000
      7       3.1488      0.84768
      8       4.2108     -0.00000
      9       5.1618     -0.00000
     10       5.6026     -0.00000
     11       7.1592     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4776     -0.00000
     15       9.0279      0.00000
     16       9.6541      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4104      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.6113      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4085      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4083      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4105      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7097      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4966      1.00000
      5      -0.2903      1.00000
      6       0.4668      1.00000
      7       1.3391      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0907     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.5297      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3156      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3159      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2063      1.00000
      3      -2.2417      1.00000
      4      -2.2396      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8169      1.00000
      8       1.5822      1.00000
      9       3.6085     -0.01306
     10       3.7657     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.5094      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3066     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.5015      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9476      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7068      1.00000
      5      -1.1884      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4319     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7946     -0.00000
     12       7.3067     -0.00000
     13       7.7847     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4104      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4674     -0.00000
     16       8.8351      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4711     -0.00000
     16       8.8394      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4700     -0.00000
     16       8.8447      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4673     -0.00000
     16       8.8341      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4677     -0.00000
     16       8.8851      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2064      1.00000
      2      -5.2235      1.00000
      3      -3.8317      1.00000
      4      -1.9708      1.00000
      5       0.4548      1.00000
      6       1.8879      1.00000
      7       2.7656      1.00196
      8       3.5160     -0.03267
      9       4.4296     -0.00000
     10       4.5821     -0.00000
     11       5.4816     -0.00000
     12       6.0613     -0.00000
     13       6.6791     -0.00000
     14       7.1656     -0.00000
     15       8.4675     -0.00000
     16       8.8340      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75116
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2837     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75116
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2998     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75115
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2793     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75116
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.4093     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75116
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3399     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9615      1.00000
      2      -2.9793      1.00000
      3      -1.6087      1.00000
      4      -1.2309      1.00000
      5      -0.3550      1.00000
      6       0.1789      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00532
      9       3.1783      0.75117
     10       4.0594     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8958     -0.00000
     14       6.7805     -0.00000
     15       7.9257     -0.00000
     16       8.3099     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01603
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8920     -0.00000
     16       7.9386     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01602
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8884     -0.00000
     16       7.9376     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2089      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0657      1.00000
      5       1.1858      1.00000
      6       1.1925      1.00000
      7       1.7545      1.00000
      8       2.1567      1.00000
      9       2.9192      1.02258
     10       3.4270     -0.01602
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3520     -0.00000
     14       6.0192     -0.00000
     15       7.8915     -0.00000
     16       7.9373     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9845      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3071     -0.00000
     16       7.6526     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9845      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6390     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7019      1.00000
      3      -0.7785      1.00000
      4      -0.7394      1.00000
      5       0.3555      1.00000
      6       0.7250      1.00000
      7       0.9845      1.00000
      8       1.7600      1.00000
      9       2.3153      1.00000
     10       2.5779      1.00001
     11       3.9081     -0.00001
     12       5.2112     -0.00000
     13       5.4593     -0.00000
     14       5.6161     -0.00000
     15       7.3071     -0.00000
     16       7.6413     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.490   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.254 -62.091  -0.000  -0.082  -0.000   0.000  -0.022   0.000
-62.091  33.163   0.000   0.035   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.114   0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035   0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
  0.000  -0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    200.9345: real time    201.6562
    FORNL :  cpu time      0.0787: real time      0.0790
    FORCOR:  cpu time      1.1853: real time      1.1880
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.243E-05 0.262E-05 0.184E+03   0.509E-13 0.258E-13 -.183E+03   0.370E-05 -.297E-05 -.122E+01
   -.384E-05 -.415E-05 0.928E+02   -.202E-14 0.382E-14 -.929E+02   0.303E-05 0.465E-05 0.196E+00
   0.958E-05 -.195E-05 -.474E+00   -.148E-12 -.868E-13 0.484E+00   -.963E-05 0.245E-05 -.216E-01
   -.263E-05 0.246E-05 -.939E+02   0.145E-12 0.872E-13 0.939E+02   0.682E-05 -.228E-05 0.607E-01
   0.491E-05 0.400E-05 -.183E+03   -.413E-13 -.265E-13 0.182E+03   -.629E-05 -.494E-05 0.983E+00
 -----------------------------------------------------------------------------------------------
   0.592E-05 0.326E-05 -.482E-02   0.439E-14 0.346E-14 0.000E+00   -.237E-05 -.308E-05 -.444E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.088787
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.098050
      1.42873      0.82488      4.63066        -0.000001      0.000000     -0.009007
      2.85746      1.64976      6.92571         0.000003      0.000000      0.002019
      0.00000      0.00000      9.30400        -0.000002     -0.000001     -0.002274
 -----------------------------------------------------------------------------------
    total drift:                                0.000004      0.000000     -0.009447


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88882086 eV

  energy  without entropy=      -13.89070371  energy(sigma->0) =      -13.88944847
 
 d Force = 0.9808545E-04[ 0.187E-04, 0.177E-03]  d Energy = 0.8018496E-04 0.179E-04
 d Force = 0.8427442E+00[ 0.842E+00, 0.843E+00]  d Ewald  = 0.8427443E+00-0.125E-06


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


    POTLOK:  cpu time      1.1913: real time      1.1941


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0513
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1937: real time      1.1964
    EDDIAG:  cpu time    256.4034: real time    257.3600
    CHARGE:  cpu time      0.1052: real time      0.1056
 writing wavefunctions
     LOOP+:  cpu time   2506.3949: real time   2516.1794


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


    POTLOK:  cpu time      0.4183: real time      0.4197
    SETDIJ:  cpu time      0.7699: real time      0.7712
    TRIAL :  cpu time    255.8193: real time    256.8072
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1112: real time      0.1116
    --------------------------------------------
      LOOP:  cpu time    257.1228: real time    258.2407

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1727598E-03  (-0.8047588E-03)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0007773 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.87665579
  -exchange      EXHF   =        33.38285622
  -V(xc)+E(xc)   XCENC  =       -83.51725189
  PAW double counting   =    101636.14649318  -101535.19602356
  entropy T*S    EENTRO =         0.00186738
  eigenvalues    EBANDS =       -34.90864909
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88864068 eV

  energy without entropy =      -13.89050805  energy(sigma->0) =      -13.88926313
  exchange ACFDT corr.  =        -0.00173192  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7716: real time      0.7729
    TRIAL :  cpu time    255.2705: real time    256.2148
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1108: real time      0.1112
    --------------------------------------------
      LOOP:  cpu time    256.5761: real time    257.5237

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1047498E-03  (-0.7726966E-03)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0007770 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.86784920
  -exchange      EXHF   =        33.38285048
  -V(xc)+E(xc)   XCENC  =       -83.51726053
  PAW double counting   =    101636.68597591  -101535.73550919
  entropy T*S    EENTRO =         0.00185451
  eigenvalues    EBANDS =       -34.91734453
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88853593 eV

  energy without entropy =      -13.89039043  energy(sigma->0) =      -13.88915410
  exchange ACFDT corr.  =        -0.00172566  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7684: real time      0.7698
    TRIAL :  cpu time    254.4054: real time    255.3760
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1106: real time      0.1110
    --------------------------------------------
      LOOP:  cpu time    255.7066: real time    256.6806

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2548664E-03  (-0.2091750E-04)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0007764 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.84353607
  -exchange      EXHF   =        33.38271039
  -V(xc)+E(xc)   XCENC  =       -83.51729849
  PAW double counting   =    101638.13799450  -101537.18752163
  entropy T*S    EENTRO =         0.00185692
  eigenvalues    EBANDS =       -34.94172777
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879079 eV

  energy without entropy =      -13.89064771  energy(sigma->0) =      -13.88940977
  exchange ACFDT corr.  =        -0.00173297  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    254.5233: real time    255.4897
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    255.8215: real time    256.7911

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1805090E-04  (-0.9543564E-04)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0007756 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.85474090
  -exchange      EXHF   =        33.38271545
  -V(xc)+E(xc)   XCENC  =       -83.51729487
  PAW double counting   =    101639.44699113  -101538.49649593
  entropy T*S    EENTRO =         0.00186368
  eigenvalues    EBANDS =       -34.93057441
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880884 eV

  energy without entropy =      -13.89067252  energy(sigma->0) =      -13.88943007
  exchange ACFDT corr.  =        -0.00173160  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7696: real time      0.7709
    TRIAL :  cpu time    255.1601: real time    256.1005
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1106: real time      0.1110
    --------------------------------------------
      LOOP:  cpu time    256.4631: real time    257.4067

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1907741E-04  (-0.1129366E-03)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0007749 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.86979510
  -exchange      EXHF   =        33.38275863
  -V(xc)+E(xc)   XCENC  =       -83.51728340
  PAW double counting   =    101640.86858369  -101539.91807838
  entropy T*S    EENTRO =         0.00185911
  eigenvalues    EBANDS =       -34.91557265
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878977 eV

  energy without entropy =      -13.89064888  energy(sigma->0) =      -13.88940947
  exchange ACFDT corr.  =        -0.00172773  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7700: real time      0.7714
    TRIAL :  cpu time    254.5947: real time    255.5455
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1106: real time      0.1110
    --------------------------------------------
      LOOP:  cpu time    255.8994: real time    256.8533

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3512995E-04  (-0.6222851E-05)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0007741 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.86171600
  -exchange      EXHF   =        33.38271750
  -V(xc)+E(xc)   XCENC  =       -83.51729395
  PAW double counting   =    101642.64405232  -101541.69354035
  entropy T*S    EENTRO =         0.00185895
  eigenvalues    EBANDS =       -34.92363727
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882490 eV

  energy without entropy =      -13.89068385  energy(sigma->0) =      -13.88944455
  exchange ACFDT corr.  =        -0.00173044  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7685: real time      0.7701
    TRIAL :  cpu time    255.5283: real time    256.4859
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1103: real time      0.1107
    --------------------------------------------
      LOOP:  cpu time    256.8309: real time    257.7918

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4936746E-05  (-0.1131457E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0007731 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.85663349
  -exchange      EXHF   =        33.38270372
  -V(xc)+E(xc)   XCENC  =       -83.51729943
  PAW double counting   =    101644.34327792  -101543.39276138
  entropy T*S    EENTRO =         0.00186081
  eigenvalues    EBANDS =       -34.92870989
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882983 eV

  energy without entropy =      -13.89069064  energy(sigma->0) =      -13.88945010
  exchange ACFDT corr.  =        -0.00173063  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7725: real time      0.7739
    TRIAL :  cpu time    253.9898: real time    254.9394
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1111: real time      0.1115
    --------------------------------------------
      LOOP:  cpu time    255.2969: real time    256.2497

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3057529E-05  (-0.1622048E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0007722 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.85798680
  -exchange      EXHF   =        33.38271262
  -V(xc)+E(xc)   XCENC  =       -83.51729788
  PAW double counting   =    101646.01720918  -101545.06669078
  entropy T*S    EENTRO =         0.00185960
  eigenvalues    EBANDS =       -34.92736769
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882677 eV

  energy without entropy =      -13.89068637  energy(sigma->0) =      -13.88944664
  exchange ACFDT corr.  =        -0.00172965  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4217: real time      0.4231
    SETDIJ:  cpu time      0.7671: real time      0.7684
    TRIAL :  cpu time    254.8857: real time    255.8308
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    255.0397: real time    256.0159
    CHARGE:  cpu time      0.1103: real time      0.1108
    --------------------------------------------
      LOOP:  cpu time    511.2272: real time    513.1517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4779427E-05  (-0.1317987E-05)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0007714 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.49734952
  -Hartree energ DENC   =      -716.85843978
  -exchange      EXHF   =        33.38271126
  -V(xc)+E(xc)   XCENC  =       -83.51729796
  PAW double counting   =    101647.73073750  -101546.78022816
  entropy T*S    EENTRO =         0.00186014
  eigenvalues    EBANDS =       -34.92690404
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883155 eV

  energy without entropy =      -13.89069169  energy(sigma->0) =      -13.88945160
  exchange ACFDT corr.  =        -0.00173042  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9076


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8128       2 -69.7050       3 -69.7544       4 -69.7061       5 -69.8262
 
 
 
 E-fermi :   3.2416     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2415713855

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9214      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7157      1.00000
      5      -4.2264      1.00000
      6      -1.5027      1.00000
      7       1.7982      1.00000
      8       4.6983     -0.00000
      9       5.3690     -0.00000
     10       7.9194     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2203      0.00000
     14      16.0228      0.00000
     15      16.0314      0.00000
     16      16.0434      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5915      0.00000
     16      14.1398      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1422      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.2339      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2743      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2984      0.00000
     16      12.6267      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2742      0.00000
     16      12.6274      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8933      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8441      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.9126      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8346      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9948      0.00000
     16      10.5041      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9950      0.00000
     16      10.5196      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5183      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6803      0.00000
     16      12.5891      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6804      0.00000
     16      12.5445      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6808      0.00000
     16      12.5695      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9428      0.00000
     16       9.5380      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9448      0.00000
     16       9.6755      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4089      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4129      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4086      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4084      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3188      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3149      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3165      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4082      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4181      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4084      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4684     -0.00000
     16       8.8393      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4679     -0.00000
     16       8.8370      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4674     -0.00000
     16       8.8331      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4670     -0.00000
     16       8.8343      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4676     -0.00000
     16       8.8411      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4825     -0.00000
     16       8.8514      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9248     -0.00000
     16       8.2807     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75204
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3338     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3684     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3007     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9247     -0.00000
     16       8.2778     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9247     -0.00000
     16       8.3898     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8903     -0.00000
     16       7.9379     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8896     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8914     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6385     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3070     -0.00000
     16       7.6617     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3070     -0.00000
     16       7.6482     -0.00000
 Fermi energy:         3.2415713855

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9214      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7157      1.00000
      5      -4.2264      1.00000
      6      -1.5027      1.00000
      7       1.7982      1.00000
      8       4.6983     -0.00000
      9       5.3690     -0.00000
     10       7.9194     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2203      0.00000
     14      16.0253      0.00000
     15      16.0322      0.00000
     16      16.1039      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5915      0.00000
     16      14.1503      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5915      0.00000
     16      14.1410      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6738      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4644      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5915      0.00000
     16      14.1434      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2750      0.00000
     16      12.6259      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2739      0.00000
     16      12.6272      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7108      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00299
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8012      0.00000
     15      12.2740      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8861      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3327      1.00000
      4      -4.4564      1.00000
      5      -1.9367      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7310     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7973      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8161      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8727      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9539      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7113      1.00000
      5      -0.2592      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8635      1.01124
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.9295      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9951      0.00000
     16      10.5041      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8158      0.00000
     15       9.9953      0.00000
     16      10.3925      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7137      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9834      1.00000
      5      -1.0878      1.00000
      6      -0.5376      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5974      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9945      0.00000
     16      10.5101      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6805      0.00000
     16      12.5559      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6803      0.00000
     16      12.5673      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1785      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9619      1.00000
      5      -3.4577      1.00000
      6      -0.7518      1.00000
      7       2.5476      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9467      0.00000
     13      10.9863      0.00000
     14      11.5211      0.00000
     15      11.6804      0.00000
     16      12.5371      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2441      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1875      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9579      1.00000
      5      -2.4405      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03433
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2684     -0.00000
     11       7.9074     -0.00000
     12       8.9486      0.00000
     13       9.1561      0.00000
     14       9.6023      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4563      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1495      0.84672
      8       4.2107     -0.00000
      9       5.1614     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4100      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.5959      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4084      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4084      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4100      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7090      1.00000
      2      -4.7243      1.00000
      3      -3.3342      1.00000
      4      -1.4959      1.00000
      5      -0.2896      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0914     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4927      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3152      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3154      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2056      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8177      1.00000
      8       1.5829      1.00000
      9       3.6083     -0.01315
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3511     -0.00000
     14       8.1767     -0.00000
     15       9.0443      0.00000
     16       9.3147      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4958      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4893      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9470      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7061      1.00000
      5      -1.1887      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9010     -0.00000
     15       8.0130     -0.00000
     16       9.4099      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4674     -0.00000
     16       8.8347      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4701     -0.00000
     16       8.8378      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4693     -0.00000
     16       8.8422      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4673     -0.00000
     16       8.8339      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4676     -0.00000
     16       8.8744      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8885      1.00000
      7       2.7658      1.00195
      8       3.5159     -0.03273
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0617     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4675     -0.00000
     16       8.8338      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2831     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75204
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2972     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2791     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75203
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.4028     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75204
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3350     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3008      1.00000
      8       2.8172      1.00529
      9       3.1786      0.75204
     10       4.0601     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9254     -0.00000
     16       8.3052     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8909     -0.00000
     16       7.9381     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9373     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2082      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0650      1.00000
      5       1.1865      1.00000
      6       1.1931      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02249
     10       3.4272     -0.01563
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3526     -0.00000
     14       6.0198     -0.00000
     15       7.8905     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3070     -0.00000
     16       7.6510     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6388     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7012      1.00000
      3      -0.7783      1.00000
      4      -0.7396      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5784      1.00001
     11       3.9085     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3070     -0.00000
     16       7.6406     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.765  23.490   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.090  -0.000  -0.081  -0.000   0.000  -0.022   0.000
-62.090  33.163   0.000   0.035   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.081   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
  0.000  -0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.3039: real time    202.0720
    FORNL :  cpu time      0.0793: real time      0.0796
    FORCOR:  cpu time      1.1859: real time      1.1886
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.348E-05 0.308E-05 0.184E+03   0.509E-13 0.261E-13 -.183E+03   0.393E-05 -.410E-05 -.122E+01
   0.396E-06 -.271E-05 0.928E+02   0.105E-14 0.548E-14 -.929E+02   -.183E-05 0.296E-05 0.194E+00
   -.439E-05 0.535E-06 -.493E+00   -.149E-12 -.880E-13 0.503E+00   0.727E-05 0.130E-06 -.115E-01
   0.593E-06 0.829E-06 -.939E+02   0.143E-12 0.825E-13 0.939E+02   0.529E-06 -.997E-06 0.465E-01
   -.582E-05 0.416E-05 -.183E+03   -.409E-13 -.226E-13 0.182E+03   0.622E-05 -.528E-05 0.983E+00
 -----------------------------------------------------------------------------------------------
   -.134E-04 0.632E-05 0.150E-01   0.439E-14 0.346E-14 0.568E-13   0.161E-04 -.729E-05 -.983E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.090820
      0.00000      0.00000      2.33311        -0.000002      0.000001      0.100811
      1.42873      0.82488      4.63046         0.000002      0.000001     -0.001969
      2.85746      1.64976      6.92638         0.000000      0.000000     -0.002604
      0.00000      0.00000      9.30428        -0.000000     -0.000001     -0.005418
 -----------------------------------------------------------------------------------
    total drift:                                0.000003     -0.000001      0.005154


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883155 eV

  energy  without entropy=      -13.89069169  energy(sigma->0) =      -13.88945160
 
 d Force =-0.1711830E-06[-0.290E-05, 0.256E-05]  d Energy = 0.1069503E-04-0.109E-04
 d Force = 0.1153271E+00[ 0.115E+00, 0.115E+00]  d Ewald  = 0.1153271E+00-0.318E-09


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


    POTLOK:  cpu time      1.1935: real time      1.1963


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0867
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1918: real time      1.1946
    EDDIAG:  cpu time    256.8883: real time    257.8676
    CHARGE:  cpu time      0.1060: real time      0.1064
 writing wavefunctions
     LOOP+:  cpu time   3023.5354: real time   3035.3701


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


    POTLOK:  cpu time      0.4182: real time      0.4196
    SETDIJ:  cpu time      0.7686: real time      0.7700
    TRIAL :  cpu time    254.4370: real time    255.3918
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1060: real time      0.1064
    --------------------------------------------
      LOOP:  cpu time    255.7340: real time    256.8391

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1525876E-03  (-0.7116368E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0007702 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.90456413
  -exchange      EXHF   =        33.38283426
  -V(xc)+E(xc)   XCENC  =       -83.51726550
  PAW double counting   =    101650.01431620  -101549.06381502
  entropy T*S    EENTRO =         0.00186637
  eigenvalues    EBANDS =       -34.94206417
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88867419 eV

  energy without entropy =      -13.89054056  energy(sigma->0) =      -13.88929631
  exchange ACFDT corr.  =        -0.00172186  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7696: real time      0.7710
    TRIAL :  cpu time    254.3743: real time    255.3348
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1062: real time      0.1066
    --------------------------------------------
      LOOP:  cpu time    255.6732: real time    256.6369

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9605326E-04  (-0.6819297E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0007696 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.91152772
  -exchange      EXHF   =        33.38282566
  -V(xc)+E(xc)   XCENC  =       -83.51726024
  PAW double counting   =    101651.00033350  -101550.04983681
  entropy T*S    EENTRO =         0.00187797
  eigenvalues    EBANDS =       -34.93498631
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88857813 eV

  energy without entropy =      -13.89045610  energy(sigma->0) =      -13.88920412
  exchange ACFDT corr.  =        -0.00172779  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    254.7701: real time    255.7527
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1060: real time      0.1064
    --------------------------------------------
      LOOP:  cpu time    256.0684: real time    257.0542

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2242504E-03  (-0.1493606E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0007691 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.93346327
  -exchange      EXHF   =        33.38294289
  -V(xc)+E(xc)   XCENC  =       -83.51722946
  PAW double counting   =    101651.64415274  -101550.69367004
  entropy T*S    EENTRO =         0.00187589
  eigenvalues    EBANDS =       -34.91342063
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880238 eV

  energy without entropy =      -13.89067827  energy(sigma->0) =      -13.88942768
  exchange ACFDT corr.  =        -0.00172126  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7708: real time      0.7721
    TRIAL :  cpu time    254.9483: real time    255.9149
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1062: real time      0.1066
    --------------------------------------------
      LOOP:  cpu time    256.2486: real time    257.2183

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1303315E-04  (-0.8487566E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0007687 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.92383982
  -exchange      EXHF   =        33.38293383
  -V(xc)+E(xc)   XCENC  =       -83.51723383
  PAW double counting   =    101652.42911891  -101551.47863692
  entropy T*S    EENTRO =         0.00186965
  eigenvalues    EBANDS =       -34.92304090
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881542 eV

  energy without entropy =      -13.89068506  energy(sigma->0) =      -13.88943863
  exchange ACFDT corr.  =        -0.00172255  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4214: real time      0.4228
    SETDIJ:  cpu time      0.7715: real time      0.7728
    TRIAL :  cpu time    255.0007: real time    255.9850
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    256.3025: real time    257.2899

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1794610E-04  (-0.9833744E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007681 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.91000682
  -exchange      EXHF   =        33.38289206
  -V(xc)+E(xc)   XCENC  =       -83.51724576
  PAW double counting   =    101653.23854316  -101552.28805263
  entropy T*S    EENTRO =         0.00187388
  eigenvalues    EBANDS =       -34.93680454
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879747 eV

  energy without entropy =      -13.89067135  energy(sigma->0) =      -13.88942210
  exchange ACFDT corr.  =        -0.00172621  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7694: real time      0.7707
    TRIAL :  cpu time    254.3663: real time    255.3531
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    255.6662: real time    256.6562

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3043906E-04  (-0.4130446E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007677 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.91714433
  -exchange      EXHF   =        33.38293160
  -V(xc)+E(xc)   XCENC  =       -83.51723498
  PAW double counting   =    101653.87404217  -101552.92355412
  entropy T*S    EENTRO =         0.00187408
  eigenvalues    EBANDS =       -34.92974956
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882791 eV

  energy without entropy =      -13.89070199  energy(sigma->0) =      -13.88945260
  exchange ACFDT corr.  =        -0.00172378  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7695: real time      0.7709
    TRIAL :  cpu time    255.2308: real time    256.2294
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    256.5304: real time    257.5322

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3310932E-05  (-0.1013723E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007673 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.92149268
  -exchange      EXHF   =        33.38294423
  -V(xc)+E(xc)   XCENC  =       -83.51722998
  PAW double counting   =    101654.57691724  -101553.62642581
  entropy T*S    EENTRO =         0.00187235
  eigenvalues    EBANDS =       -34.92542574
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883122 eV

  energy without entropy =      -13.89070357  energy(sigma->0) =      -13.88945534
  exchange ACFDT corr.  =        -0.00172364  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7735: real time      0.7749
    TRIAL :  cpu time    254.0885: real time    255.0461
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    255.3912: real time    256.3520

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2987658E-05  (-0.1412160E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007668 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.92011902
  -exchange      EXHF   =        33.38293442
  -V(xc)+E(xc)   XCENC  =       -83.51723183
  PAW double counting   =    101655.26125360  -101554.31075804
  entropy T*S    EENTRO =         0.00187353
  eigenvalues    EBANDS =       -34.92678713
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882823 eV

  energy without entropy =      -13.89070176  energy(sigma->0) =      -13.88945274
  exchange ACFDT corr.  =        -0.00172461  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7711: real time      0.7724
    TRIAL :  cpu time    255.4013: real time    256.3633
    CORREC:  cpu time      0.0022: real time      0.0023
    EDDIAG:  cpu time    256.0614: real time    257.0242
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    512.7640: real time    514.6919

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4096747E-05  (-0.9197998E-06)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007665 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.55862318
  -Hartree energ DENC   =      -716.91988611
  -exchange      EXHF   =        33.38293265
  -V(xc)+E(xc)   XCENC  =       -83.51723134
  PAW double counting   =    101655.81881935  -101554.86832458
  entropy T*S    EENTRO =         0.00187306
  eigenvalues    EBANDS =       -34.92702889
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883233 eV

  energy without entropy =      -13.89070539  energy(sigma->0) =      -13.88945668
  exchange ACFDT corr.  =        -0.00172392  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0235


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7989       2 -69.6947       3 -69.7541       4 -69.7160       5 -69.8404
 
 
 
 E-fermi :   3.2413     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2412694812

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9212      1.00000
      2      -9.9529      1.00000
      3      -8.5810      1.00000
      4      -6.7161      1.00000
      5      -4.2261      1.00000
      6      -1.5026      1.00000
      7       1.7984      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2204      0.00000
     14      16.0225      0.00000
     15      16.0317      0.00000
     16      16.0422      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.1401      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.1419      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.2165      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2740      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2940      0.00000
     16      12.6264      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2738      0.00000
     16      12.6273      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8909      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9687      0.00000
     16      10.8290      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9686      0.00000
     16      10.9093      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9686      0.00000
     16      10.8174      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8157      0.00000
     15       9.9948      0.00000
     16      10.5025      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8157      0.00000
     15       9.9950      0.00000
     16      10.5197      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.5182      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6808      0.00000
     16      12.5883      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6809      0.00000
     16      12.5438      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6811      0.00000
     16      12.5662      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2437      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2437      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2438      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
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      4      -3.4566      1.00000
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      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
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     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
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      8       4.2109     -0.00000
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     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
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     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.5021      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9444      0.00000
     16       9.6643      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2672     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4086      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2672     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4112      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4083      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
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      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4082      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3179      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0448      0.00000
     16       9.3145      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0448      0.00000
     16       9.3159      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4071      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4140      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4072      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4679     -0.00000
     16       8.8382      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4675     -0.00000
     16       8.8364      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4671     -0.00000
     16       8.8331      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4668     -0.00000
     16       8.8338      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4673     -0.00000
     16       8.8395      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4782     -0.00000
     16       8.8470      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9247     -0.00000
     16       8.2793     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.3292     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.3628     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.2973     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.2774     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9247     -0.00000
     16       8.3840     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8898     -0.00000
     16       7.9378     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8894     -0.00000
     16       7.9373     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8908     -0.00000
     16       7.9373     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3070     -0.00000
     16       7.6385     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3070     -0.00000
     16       7.6588     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3070     -0.00000
     16       7.6465     -0.00000
 Fermi energy:         3.2412694812

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9212      1.00000
      2      -9.9529      1.00000
      3      -8.5810      1.00000
      4      -6.7161      1.00000
      5      -4.2261      1.00000
      6      -1.5026      1.00000
      7       1.7984      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2204      0.00000
     14      16.0245      0.00000
     15      16.0312      0.00000
     16      16.0939      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.1482      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.1410      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6735      1.00000
      2      -9.7046      1.00000
      3      -8.3314      1.00000
      4      -6.4647      1.00000
      5      -3.9694      1.00000
      6      -1.2518      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8007      0.00000
     15      13.5917      0.00000
     16      14.1428      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2745      0.00000
     16      12.6254      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2736      0.00000
     16      12.6272      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9306      1.00000
      2      -8.9595      1.00000
      3      -7.5825      1.00000
      4      -5.7111      1.00000
      5      -3.2021      1.00000
      6      -0.5029      1.00000
      7       2.7869      1.00302
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3737     -0.00000
     11       8.7575      0.00000
     12       9.2694      0.00000
     13       9.7162      0.00000
     14      10.8008      0.00000
     15      12.2736      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6915      1.00000
      2      -7.7164      1.00000
      3      -6.3331      1.00000
      4      -4.4567      1.00000
      5      -1.9364      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9973     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1828     -0.00000
     12       7.3365     -0.00000
     13       8.7970      0.00000
     14       9.7313      0.00000
     15       9.9813      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9686      0.00000
     16      10.7948      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9686      0.00000
     16      10.8667      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9536      1.00000
      2      -5.9722      1.00000
      3      -4.5822      1.00000
      4      -2.7116      1.00000
      5      -0.2589      1.00000
      6       1.1599      1.00000
      7       2.0880      1.00000
      8       2.8638      1.01128
      9       3.7676     -0.00063
     10       5.4637     -0.00000
     11       5.7487     -0.00000
     12       7.7452     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9686      0.00000
     16      10.9284      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8157      0.00000
     15       9.9951      0.00000
     16      10.5025      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8158      0.00000
     15       9.9950      0.00000
     16      10.3733      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7134      1.00000
      2      -3.7272      1.00000
      3      -2.3511      1.00000
      4      -1.9831      1.00000
      5      -1.0878      1.00000
      6      -0.5379      1.00000
      7       0.5740      1.00000
      8       2.1925      1.00000
      9       2.5972      1.00003
     10       4.6680     -0.00000
     11       4.8963     -0.00000
     12       7.1664     -0.00000
     13       7.6755     -0.00000
     14       9.8157      0.00000
     15       9.9946      0.00000
     16      10.5092      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6809      0.00000
     16      12.5539      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6808      0.00000
     16      12.5669      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1783      1.00000
      2      -9.2079      1.00000
      3      -7.8322      1.00000
      4      -5.9623      1.00000
      5      -3.4574      1.00000
      6      -0.7517      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9470      0.00000
     13      10.9867      0.00000
     14      11.5207      0.00000
     15      11.6809      0.00000
     16      12.5360      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2437      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2437      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1872      1.00000
      2      -8.2139      1.00000
      3      -6.8331      1.00000
      4      -4.9583      1.00000
      5      -2.4402      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03439
      8       6.0172     -0.00000
      9       6.7300     -0.00000
     10       7.2686     -0.00000
     11       7.9075     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8013      0.00000
     16      10.2437      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6539      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6987      1.00000
      2      -6.7203      1.00000
      3      -5.3326      1.00000
      4      -3.4566      1.00000
      5      -0.9458      1.00000
      6       1.6231      1.00000
      7       3.1496      0.84705
      8       4.2109     -0.00000
      9       5.1615     -0.00000
     10       5.6024     -0.00000
     11       7.1595     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4783     -0.00000
     15       9.0279      0.00000
     16       9.6540      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4091      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.5646      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4083      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2672     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4081      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7395     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4093      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7087      1.00000
      2      -4.7243      1.00000
      3      -3.3346      1.00000
      4      -1.4962      1.00000
      5      -0.2894      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4122      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2671     -0.00000
     12       6.7394     -0.00000
     13       7.6949     -0.00000
     14       8.4541     -0.00000
     15       8.9431      0.00000
     16       9.4650      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0449      0.00000
     16       9.3147      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0448      0.00000
     16       9.3149      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2313      1.00000
      2      -3.2055      1.00000
      3      -2.2417      1.00000
      4      -2.2395      1.00000
      5      -1.0951      1.00000
      6      -0.6986      1.00000
      7       0.8173      1.00000
      8       1.5826      1.00000
      9       3.6085     -0.01310
     10       3.7656     -0.00066
     11       5.8268     -0.00000
     12       6.2249     -0.00000
     13       7.3513     -0.00000
     14       8.1768     -0.00000
     15       9.0448      0.00000
     16       9.3143      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4813      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4731      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9467      1.00000
      2      -6.9695      1.00000
      3      -5.5828      1.00000
      4      -3.7064      1.00000
      5      -1.1884      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4328     -0.00000
      9       5.8389     -0.00000
     10       6.4756     -0.00000
     11       6.7947     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9011     -0.00000
     15       8.0127     -0.00000
     16       9.4083      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4671     -0.00000
     16       8.8345      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4690     -0.00000
     16       8.8367      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4686     -0.00000
     16       8.8407      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4671     -0.00000
     16       8.8338      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4674     -0.00000
     16       8.8664      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2055      1.00000
      2      -5.2235      1.00000
      3      -3.8320      1.00000
      4      -1.9704      1.00000
      5       0.4548      1.00000
      6       1.8887      1.00000
      7       2.7657      1.00196
      8       3.5161     -0.03269
      9       4.4293     -0.00000
     10       4.5829     -0.00000
     11       5.4817     -0.00000
     12       6.0614     -0.00000
     13       6.6788     -0.00000
     14       7.1655     -0.00000
     15       8.4672     -0.00000
     16       8.8336      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.2821     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.2938     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.2781     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.3967     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9246     -0.00000
     16       8.3304     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9606      1.00000
      2      -2.9793      1.00000
      3      -1.6090      1.00000
      4      -1.2300      1.00000
      5      -0.3549      1.00000
      6       0.1791      1.00000
      7       1.3004      1.00000
      8       2.8172      1.00531
      9       3.1785      0.75171
     10       4.0602     -0.00000
     11       4.8253     -0.00000
     12       5.6194     -0.00000
     13       5.8958     -0.00000
     14       6.7802     -0.00000
     15       7.9252     -0.00000
     16       8.3013     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8904     -0.00000
     16       7.9379     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8881     -0.00000
     16       7.9375     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2079      1.00000
      2      -3.2271      1.00000
      3      -1.8447      1.00000
      4      -0.0654      1.00000
      5       1.1867      1.00000
      6       1.1936      1.00000
      7       1.7544      1.00000
      8       2.1567      1.00000
      9       2.9194      1.02257
     10       3.4264     -0.01589
     11       4.2052     -0.00000
     12       5.3081     -0.00000
     13       5.3523     -0.00000
     14       6.0196     -0.00000
     15       7.8901     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3071     -0.00000
     16       7.6491     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3070     -0.00000
     16       7.6388     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7300      1.00000
      2      -1.7011      1.00000
      3      -0.7784      1.00000
      4      -0.7393      1.00000
      5       0.3550      1.00000
      6       0.7249      1.00000
      7       0.9855      1.00000
      8       1.7600      1.00000
      9       2.3157      1.00000
     10       2.5780      1.00001
     11       3.9080     -0.00001
     12       5.2114     -0.00000
     13       5.4589     -0.00000
     14       5.6164     -0.00000
     15       7.3071     -0.00000
     16       7.6405     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.091   0.000  -0.082  -0.000  -0.000  -0.022   0.000
-62.091  33.163  -0.000   0.035   0.000   0.000   0.013  -0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.5856: real time    202.3070
    FORNL :  cpu time      0.0792: real time      0.0794
    FORCOR:  cpu time      1.1875: real time      1.1902
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.772E-06 0.262E-05 0.184E+03   0.502E-13 0.260E-13 -.183E+03   0.365E-06 -.358E-05 -.122E+01
   0.913E-06 -.946E-07 0.928E+02   0.231E-14 0.449E-14 -.929E+02   -.201E-05 0.123E-06 0.195E+00
   -.386E-05 0.358E-06 -.488E+00   -.152E-12 -.847E-13 0.493E+00   0.578E-05 0.194E-06 -.150E-01
   0.159E-05 0.223E-07 -.939E+02   0.146E-12 0.799E-13 0.939E+02   -.185E-05 0.375E-06 0.527E-01
   -.285E-05 0.357E-05 -.183E+03   -.421E-13 -.223E-13 0.182E+03   0.275E-05 -.460E-05 0.984E+00
 -----------------------------------------------------------------------------------------------
   -.454E-05 0.722E-05 -.143E-02   0.439E-14 0.346E-14 0.000E+00   0.503E-05 -.749E-05 -.591E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.088139
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.098622
      1.42873      0.82488      4.63057         0.000001      0.000000     -0.008432
      2.85746      1.64976      6.92602        -0.000000      0.000001     -0.000453
      0.00000      0.00000      9.30413         0.000000     -0.000001     -0.001598
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000000     -0.007135


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883233 eV

  energy  without entropy=      -13.89070539  energy(sigma->0) =      -13.88945668
 
 d Force = 0.5135211E-06[-0.515E-06, 0.154E-05]  d Energy = 0.7762438E-06-0.263E-06
 d Force =-0.6127366E-01[-0.613E-01,-0.613E-01]  d Ewald  =-0.6127366E-01 0.489E-10


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


    POTLOK:  cpu time      1.1907: real time      1.1934


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0573
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1917: real time      1.1944
    EDDIAG:  cpu time    256.5453: real time    257.5448
    CHARGE:  cpu time      0.1059: real time      0.1063
 writing wavefunctions
     LOOP+:  cpu time   3022.9185: real time   3034.8176


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


    POTLOK:  cpu time      0.4185: real time      0.4199
    SETDIJ:  cpu time      0.7722: real time      0.7736
    TRIAL :  cpu time    255.5894: real time    256.5500
    CORREC:  cpu time      0.0026: real time      0.0026
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.8923: real time    258.0027

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1459149E-03  (-0.6826829E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007667 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.90420238
  -exchange      EXHF   =        33.38288385
  -V(xc)+E(xc)   XCENC  =       -83.51724188
  PAW double counting   =    101656.09108118  -101555.14058307
  entropy T*S    EENTRO =         0.00187519
  eigenvalues    EBANDS =       -34.91778328
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88868232 eV

  energy without entropy =      -13.89055751  energy(sigma->0) =      -13.88930738
  exchange ACFDT corr.  =        -0.00172883  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7714: real time      0.7728
    TRIAL :  cpu time    255.2072: real time    256.1679
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1065: real time      0.1069
    --------------------------------------------
      LOOP:  cpu time    256.5084: real time    257.4722

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9296554E-04  (-0.6552890E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007669 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.90283710
  -exchange      EXHF   =        33.38291449
  -V(xc)+E(xc)   XCENC  =       -83.51723989
  PAW double counting   =    101655.79931821  -101554.84882674
  entropy T*S    EENTRO =         0.00186373
  eigenvalues    EBANDS =       -34.91909269
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88858935 eV

  energy without entropy =      -13.89045308  energy(sigma->0) =      -13.88921060
  exchange ACFDT corr.  =        -0.00172247  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7715: real time      0.7730
    TRIAL :  cpu time    254.7879: real time    255.7710
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    256.0900: real time    257.0763

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2145125E-03  (-0.1486254E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007668 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.88272573
  -exchange      EXHF   =        33.38281321
  -V(xc)+E(xc)   XCENC  =       -83.51726874
  PAW double counting   =    101656.18711027  -101555.23660752
  entropy T*S    EENTRO =         0.00186553
  eigenvalues    EBANDS =       -34.93928824
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880387 eV

  energy without entropy =      -13.89066939  energy(sigma->0) =      -13.88942571
  exchange ACFDT corr.  =        -0.00172898  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7691: real time      0.7705
    TRIAL :  cpu time    255.0788: real time    256.0409
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    256.3784: real time    257.3436

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1293526E-04  (-0.7993345E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007665 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.89059028
  -exchange      EXHF   =        33.38282657
  -V(xc)+E(xc)   XCENC  =       -83.51726413
  PAW double counting   =    101656.48676763  -101555.53626597
  entropy T*S    EENTRO =         0.00187137
  eigenvalues    EBANDS =       -34.93145531
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881680 eV

  energy without entropy =      -13.89068817  energy(sigma->0) =      -13.88944059
  exchange ACFDT corr.  =        -0.00172796  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7661: real time      0.7676
    TRIAL :  cpu time    254.6870: real time    255.6527
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1064: real time      0.1068
    --------------------------------------------
      LOOP:  cpu time    255.9827: real time    256.9517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1780542E-04  (-0.9513637E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007665 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.90261744
  -exchange      EXHF   =        33.38286926
  -V(xc)+E(xc)   XCENC  =       -83.51725234
  PAW double counting   =    101656.76268480  -101555.81219245
  entropy T*S    EENTRO =         0.00186715
  eigenvalues    EBANDS =       -34.91946137
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879900 eV

  energy without entropy =      -13.89066615  energy(sigma->0) =      -13.88942138
  exchange ACFDT corr.  =        -0.00172458  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7686: real time      0.7699
    TRIAL :  cpu time    255.7602: real time    256.7274
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1061: real time      0.1065
    --------------------------------------------
      LOOP:  cpu time    257.0584: real time    258.0288

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2892857E-04  (-0.4488409E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007663 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.89601568
  -exchange      EXHF   =        33.38283719
  -V(xc)+E(xc)   XCENC  =       -83.51726057
  PAW double counting   =    101657.20006894  -101556.24956791
  entropy T*S    EENTRO =         0.00186711
  eigenvalues    EBANDS =       -34.92605620
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882792 eV

  energy without entropy =      -13.89069503  energy(sigma->0) =      -13.88945029
  exchange ACFDT corr.  =        -0.00172702  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7687: real time      0.7701
    TRIAL :  cpu time    255.3925: real time    256.3643
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.0310: real time    257.0100
    CHARGE:  cpu time      0.1063: real time      0.1067
    --------------------------------------------
      LOOP:  cpu time    512.7219: real time    514.6759

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3528814E-05  (-0.9246397E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007661 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.53391492
  -Hartree energ DENC   =      -716.89288145
  -exchange      EXHF   =        33.38284139
  -V(xc)+E(xc)   XCENC  =       -83.51726322
  PAW double counting   =    101657.52736982  -101556.57686827
  entropy T*S    EENTRO =         0.00186877
  eigenvalues    EBANDS =       -34.92918526
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883145 eV

  energy without entropy =      -13.89070022  energy(sigma->0) =      -13.88945437
  exchange ACFDT corr.  =        -0.00172707  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9461


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8148       2 -69.7068       3 -69.7546       4 -69.7045       5 -69.8243
 
 
 
 E-fermi :   3.2414     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2414020513

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9529      1.00000
      3      -8.5806      1.00000
      4      -6.7159      1.00000
      5      -4.2264      1.00000
      6      -1.5028      1.00000
      7       1.7984      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0217     -0.00000
     12      11.8935      0.00000
     13      12.2204      0.00000
     14      16.0221      0.00000
     15      16.0296      0.00000
     16      16.0394      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.1407      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.2054      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2740      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2908      0.00000
     16      12.6262      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2738      0.00000
     16      12.6273      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8894      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.8158      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.9061      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.8028      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8157      0.00000
     15       9.9946      0.00000
     16      10.5012      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8157      0.00000
     15       9.9947      0.00000
     16      10.5197      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5181      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6803      0.00000
     16      12.5849      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6803      0.00000
     16      12.5416      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6805      0.00000
     16      12.5654      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4793      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9437      0.00000
     16       9.6572      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4086      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4106      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4083      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4082      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3179      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3149      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3161      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4074      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4136      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4076      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4677     -0.00000
     16       8.8371      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4674     -0.00000
     16       8.8357      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4672     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8338      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4672     -0.00000
     16       8.8385      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4758     -0.00000
     16       8.8448      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9246     -0.00000
     16       8.2789     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.3253     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.3579     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2948     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9246     -0.00000
     16       8.2772     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9246     -0.00000
     16       8.3785     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8894     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8891     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8903     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6383     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6572     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6461     -0.00000
 Fermi energy:         3.2414020513

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9529      1.00000
      3      -8.5806      1.00000
      4      -6.7159      1.00000
      5      -4.2264      1.00000
      6      -1.5028      1.00000
      7       1.7984      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0217     -0.00000
     12      11.8935      0.00000
     13      12.2204      0.00000
     14      16.0243      0.00000
     15      16.0309      0.00000
     16      16.0843      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.1460      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.1399      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7047      1.00000
      3      -8.3310      1.00000
      4      -6.4646      1.00000
      5      -3.9697      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2170     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8000      0.00000
     15      13.5915      0.00000
     16      14.1415      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2744      0.00000
     16      12.6249      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2736      0.00000
     16      12.6271      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9596      1.00000
      3      -7.5821      1.00000
      4      -5.7110      1.00000
      5      -3.2024      1.00000
      6      -0.5031      1.00000
      7       2.7869      1.00301
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3734     -0.00000
     11       8.7575      0.00000
     12       9.2689      0.00000
     13       9.7161      0.00000
     14      10.8013      0.00000
     15      12.2737      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7165      1.00000
      3      -6.3327      1.00000
      4      -4.4566      1.00000
      5      -1.9367      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9967     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7971      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.7794      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.8608      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9723      1.00000
      3      -4.5818      1.00000
      4      -2.7115      1.00000
      5      -0.2592      1.00000
      6       1.1593      1.00000
      7       2.0880      1.00000
      8       2.8634      1.01126
      9       3.7680     -0.00063
     10       5.4638     -0.00000
     11       5.7488     -0.00000
     12       7.7450     -0.00000
     13       8.2268     -0.00000
     14       8.6941     -0.00000
     15       9.9685      0.00000
     16      10.9271      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8157      0.00000
     15       9.9949      0.00000
     16      10.5012      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8158      0.00000
     15       9.9948      0.00000
     16      10.3569      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0879      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1924      1.00000
      9       2.5972      1.00003
     10       4.6678     -0.00000
     11       4.8961     -0.00000
     12       7.1663     -0.00000
     13       7.6754     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.5084      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6803      0.00000
     16      12.5536      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6803      0.00000
     16      12.5644      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2080      1.00000
      3      -7.8318      1.00000
      4      -5.9621      1.00000
      5      -3.4577      1.00000
      6      -0.7519      1.00000
      7       2.5478      1.00001
      8       5.3407     -0.00000
      9       5.9886     -0.00000
     10       8.4960     -0.00000
     11       8.5684     -0.00000
     12      10.9462      0.00000
     13      10.9859      0.00000
     14      11.5210      0.00000
     15      11.6803      0.00000
     16      12.5361      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2438      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2438      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2140      1.00000
      3      -6.8327      1.00000
      4      -4.9581      1.00000
      5      -2.4405      1.00000
      6       0.2377      1.00000
      7       3.4704     -0.03437
      8       6.0170     -0.00000
      9       6.7300     -0.00000
     10       7.2680     -0.00000
     11       7.9074     -0.00000
     12       8.9484      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8010      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6539      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7204      1.00000
      3      -5.3322      1.00000
      4      -3.4565      1.00000
      5      -0.9461      1.00000
      6       1.6229      1.00000
      7       3.1490      0.84694
      8       4.2106     -0.00000
      9       5.1616     -0.00000
     10       5.6027     -0.00000
     11       7.1597     -0.00000
     12       7.5106     -0.00000
     13       8.0505     -0.00000
     14       8.4777     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4091      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.5451      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4082      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4083      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4092      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7244      1.00000
      3      -3.3342      1.00000
      4      -1.4961      1.00000
      5      -0.2902      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0911     -0.00000
     11       6.2669     -0.00000
     12       6.7393     -0.00000
     13       7.6943     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4481      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3153      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2323      1.00000
      2      -3.2061      1.00000
      3      -2.2420      1.00000
      4      -2.2395      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8175      1.00000
      8       1.5827      1.00000
      9       3.6083     -0.01312
     10       3.7653     -0.00066
     11       5.8267     -0.00000
     12       6.2248     -0.00000
     13       7.3507     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3148      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4728      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4658      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9696      1.00000
      3      -5.5824      1.00000
      4      -3.7063      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4321     -0.00000
      9       5.8382     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3069     -0.00000
     13       7.7848     -0.00000
     14       7.9011     -0.00000
     15       8.0130     -0.00000
     16       9.4084      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4672     -0.00000
     16       8.8340      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4686     -0.00000
     16       8.8358      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4683     -0.00000
     16       8.8390      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4671     -0.00000
     16       8.8335      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4673     -0.00000
     16       8.8604      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2236      1.00000
      3      -3.8316      1.00000
      4      -1.9703      1.00000
      5       0.4545      1.00000
      6       1.8881      1.00000
      7       2.7657      1.00196
      8       3.5158     -0.03271
      9       4.4297     -0.00000
     10       4.5822     -0.00000
     11       5.4816     -0.00000
     12       6.0616     -0.00000
     13       6.6789     -0.00000
     14       7.1657     -0.00000
     15       8.4672     -0.00000
     16       8.8334      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2815     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2920     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2778     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.3917     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.3268     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9794      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3008      1.00000
      8       2.8171      1.00530
      9       3.1785      0.75184
     10       4.0596     -0.00000
     11       4.8253     -0.00000
     12       5.6192     -0.00000
     13       5.8957     -0.00000
     14       6.7806     -0.00000
     15       7.9250     -0.00000
     16       8.2982     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8900     -0.00000
     16       7.9375     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8880     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2272      1.00000
      3      -1.8443      1.00000
      4      -0.0652      1.00000
      5       1.1860      1.00000
      6       1.1925      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9188      1.02254
     10       3.4274     -0.01581
     11       4.2054     -0.00000
     12       5.3080     -0.00000
     13       5.3524     -0.00000
     14       6.0197     -0.00000
     15       7.8898     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6483     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6385     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7310      1.00000
      2      -1.7017      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9846      1.00000
      8       1.7603      1.00000
      9       2.3156      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2111     -0.00000
     13       5.4591     -0.00000
     14       5.6161     -0.00000
     15       7.3069     -0.00000
     16       7.6399     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.257 -62.093   0.000  -0.082  -0.000  -0.000  -0.022   0.000
-62.093  33.165  -0.000   0.035   0.000   0.000   0.013  -0.000
  0.000  -0.000   2.115  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.115   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0010
    FORHF :  cpu time    201.4101: real time    202.1810
    FORNL :  cpu time      0.0788: real time      0.0790
    FORCOR:  cpu time      1.1874: real time      1.1901
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.446E-06 0.320E-05 0.184E+03   0.507E-13 0.260E-13 -.183E+03   0.100E-06 -.397E-05 -.122E+01
   0.175E-06 -.190E-05 0.928E+02   0.276E-14 0.434E-14 -.929E+02   -.123E-05 0.202E-05 0.195E+00
   -.688E-05 -.872E-06 -.505E+00   -.152E-12 -.857E-13 0.497E+00   0.919E-05 0.164E-05 -.140E-01
   0.317E-05 0.671E-06 -.939E+02   0.144E-12 0.826E-13 0.939E+02   -.338E-05 -.388E-06 0.513E-01
   -.703E-05 0.351E-05 -.183E+03   -.412E-13 -.237E-13 0.182E+03   0.731E-05 -.456E-05 0.984E+00
 -----------------------------------------------------------------------------------------------
   -.107E-04 0.541E-05 -.302E-01   0.439E-14 0.346E-14 -.568E-13   0.120E-04 -.526E-05 -.539E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.080755
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.095052
      1.42873      0.82488      4.63052         0.000001      0.000000     -0.015231
      2.85746      1.64976      6.92617        -0.000000      0.000000     -0.004975
      0.00000      0.00000      9.30419         0.000000     -0.000001      0.005910
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000000     -0.035408


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883145 eV

  energy  without entropy=      -13.89070022  energy(sigma->0) =      -13.88945437
 
 d Force = 0.2616037E-06[ 0.315E-06, 0.208E-06]  d Energy =-0.8774449E-06 0.114E-05
 d Force = 0.2470826E-01[ 0.247E-01, 0.247E-01]  d Ewald  = 0.2470826E-01-0.199E-11


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


    POTLOK:  cpu time      1.1926: real time      1.1953


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0529
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0570: real time      0.0572
    POTLOK:  cpu time      1.1910: real time      1.1938
    EDDIAG:  cpu time    256.0985: real time    257.1013
    CHARGE:  cpu time      0.1063: real time      0.1067
 writing wavefunctions
     LOOP+:  cpu time   2513.5428: real time   2523.5440


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


    POTLOK:  cpu time      0.4195: real time      0.4209
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    255.3285: real time    256.2910
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1064: real time      0.1068
    --------------------------------------------
      LOOP:  cpu time    256.6286: real time    257.7032

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3415579E-02  (-0.1551259E-01)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007652 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.86975314
  -exchange      EXHF   =        33.38269771
  -V(xc)+E(xc)   XCENC  =       -83.51728192
  PAW double counting   =    101657.89882582  -101556.94832686
  entropy T*S    EENTRO =         0.00190452
  eigenvalues    EBANDS =       -34.93043181
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88541235 eV

  energy without entropy =      -13.88731686  energy(sigma->0) =      -13.88604718
  exchange ACFDT corr.  =        -0.00174142  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    255.6012: real time    256.5664
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1066: real time      0.1070
    --------------------------------------------
      LOOP:  cpu time    256.9007: real time    257.8690

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2098370E-02  (-0.1476873E-01)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007669 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.92530458
  -exchange      EXHF   =        33.38306308
  -V(xc)+E(xc)   XCENC  =       -83.51719756
  PAW double counting   =    101656.17521252  -101555.22473290
  entropy T*S    EENTRO =         0.00185011
  eigenvalues    EBANDS =       -34.87327520
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88331398 eV

  energy without entropy =      -13.88516409  energy(sigma->0) =      -13.88393068
  exchange ACFDT corr.  =        -0.00170521  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7698: real time      0.7711
    TRIAL :  cpu time    255.1881: real time    256.1578
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    256.4885: real time    257.4613

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4879022E-02  (-0.2813204E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007669 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.84506648
  -exchange      EXHF   =        33.38266329
  -V(xc)+E(xc)   XCENC  =       -83.51730401
  PAW double counting   =    101657.91952524  -101556.96902012
  entropy T*S    EENTRO =         0.00185552
  eigenvalues    EBANDS =       -34.95785719
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88819300 eV

  energy without entropy =      -13.89004852  energy(sigma->0) =      -13.88881150
  exchange ACFDT corr.  =        -0.00173650  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7684: real time      0.7697
    TRIAL :  cpu time    254.6207: real time    255.5688
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    255.9182: real time    256.8694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2498476E-03  (-0.1877540E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007662 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.86236793
  -exchange      EXHF   =        33.38270726
  -V(xc)+E(xc)   XCENC  =       -83.51729031
  PAW double counting   =    101658.07371179  -101557.12321124
  entropy T*S    EENTRO =         0.00188150
  eigenvalues    EBANDS =       -34.94086410
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88844285 eV

  energy without entropy =      -13.89032435  energy(sigma->0) =      -13.88907001
  exchange ACFDT corr.  =        -0.00173341  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4220
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    254.5489: real time    255.5299
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    255.8507: real time    256.8349

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3849972E-03  (-0.2130248E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007666 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.90370403
  -exchange      EXHF   =        33.38288321
  -V(xc)+E(xc)   XCENC  =       -83.51724342
  PAW double counting   =    101657.64665827  -101556.69615259
  entropy T*S    EENTRO =         0.00186176
  eigenvalues    EBANDS =       -34.89939693
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88805785 eV

  energy without entropy =      -13.88991961  energy(sigma->0) =      -13.88867844
  exchange ACFDT corr.  =        -0.00171843  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    254.7404: real time    255.7100
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    256.0396: real time    257.0124

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6656462E-03  (-0.7822342E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007664 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87559464
  -exchange      EXHF   =        33.38273721
  -V(xc)+E(xc)   XCENC  =       -83.51728341
  PAW double counting   =    101658.35857624  -101557.40807284
  entropy T*S    EENTRO =         0.00186246
  eigenvalues    EBANDS =       -34.92796396
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88872349 eV

  energy without entropy =      -13.89058595  energy(sigma->0) =      -13.88934431
  exchange ACFDT corr.  =        -0.00172978  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    255.0745: real time    256.0398
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    256.3743: real time    257.3427

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6420352E-04  (-0.2298841E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007662 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87028676
  -exchange      EXHF   =        33.38272521
  -V(xc)+E(xc)   XCENC  =       -83.51728940
  PAW double counting   =    101658.45210801  -101557.50160289
  entropy T*S    EENTRO =         0.00187068
  eigenvalues    EBANDS =       -34.93332046
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878770 eV

  energy without entropy =      -13.89065838  energy(sigma->0) =      -13.88941126
  exchange ACFDT corr.  =        -0.00172948  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4224
    SETDIJ:  cpu time      0.7692: real time      0.7706
    TRIAL :  cpu time    254.8988: real time    255.9107
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1066: real time      0.1070
    --------------------------------------------
      LOOP:  cpu time    256.1981: real time    257.2132

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6290216E-04  (-0.3038345E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007663 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87960049
  -exchange      EXHF   =        33.38277794
  -V(xc)+E(xc)   XCENC  =       -83.51727727
  PAW double counting   =    101658.38065652  -101557.43015823
  entropy T*S    EENTRO =         0.00186369
  eigenvalues    EBANDS =       -34.92401010
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88872480 eV

  energy without entropy =      -13.89058849  energy(sigma->0) =      -13.88934603
  exchange ACFDT corr.  =        -0.00172478  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7688: real time      0.7702
    TRIAL :  cpu time    254.2238: real time    255.2226
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    255.5227: real time    256.5247

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9050395E-04  (-0.1617561E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007662 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87387846
  -exchange      EXHF   =        33.38274323
  -V(xc)+E(xc)   XCENC  =       -83.51728474
  PAW double counting   =    101658.68684934  -101557.73634349
  entropy T*S    EENTRO =         0.00186472
  eigenvalues    EBANDS =       -34.92978101
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881530 eV

  energy without entropy =      -13.89068002  energy(sigma->0) =      -13.88943687
  exchange ACFDT corr.  =        -0.00172876  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4222: real time      0.4237
    SETDIJ:  cpu time      0.7683: real time      0.7696
    TRIAL :  cpu time    255.2734: real time    256.2698
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    256.5732: real time    257.5728

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1249537E-04  (-0.2833904E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007661 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87711633
  -exchange      EXHF   =        33.38275837
  -V(xc)+E(xc)   XCENC  =       -83.51728050
  PAW double counting   =    101658.79025797  -101557.83975210
  entropy T*S    EENTRO =         0.00186745
  eigenvalues    EBANDS =       -34.92657607
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882779 eV

  energy without entropy =      -13.89069525  energy(sigma->0) =      -13.88945028
  exchange ACFDT corr.  =        -0.00172824  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7729: real time      0.7743
    TRIAL :  cpu time    254.6989: real time    255.6855
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    256.0028: real time    256.9927

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9738991E-05  (-0.4302808E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007661 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.88014059
  -exchange      EXHF   =        33.38277832
  -V(xc)+E(xc)   XCENC  =       -83.51727663
  PAW double counting   =    101658.82466728  -101557.87416517
  entropy T*S    EENTRO =         0.00186430
  eigenvalues    EBANDS =       -34.92356487
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881806 eV

  energy without entropy =      -13.89068235  energy(sigma->0) =      -13.88943949
  exchange ACFDT corr.  =        -0.00172669  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7716: real time      0.7730
    TRIAL :  cpu time    254.6444: real time    255.6453
    CORREC:  cpu time      0.0021: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    255.9455: real time    256.9497

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1226661E-04  (-0.2962534E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007660 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87547320
  -exchange      EXHF   =        33.38275870
  -V(xc)+E(xc)   XCENC  =       -83.51728134
  PAW double counting   =    101658.98303490  -101558.03252923
  entropy T*S    EENTRO =         0.00186455
  eigenvalues    EBANDS =       -34.92822059
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883032 eV

  energy without entropy =      -13.89069487  energy(sigma->0) =      -13.88945184
  exchange ACFDT corr.  =        -0.00172852  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7705: real time      0.7719
    TRIAL :  cpu time    255.3921: real time    256.3623
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    255.6405: real time    256.6424
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    512.3336: real time    514.3088

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2179830E-05  (-0.3506970E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0007659 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87592691
  -exchange      EXHF   =        33.38277131
  -V(xc)+E(xc)   XCENC  =       -83.51728079
  PAW double counting   =    101659.06830889  -101558.11780341
  entropy T*S    EENTRO =         0.00186562
  eigenvalues    EBANDS =       -34.92777307
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883250 eV

  energy without entropy =      -13.89069812  energy(sigma->0) =      -13.88945437
  exchange ACFDT corr.  =        -0.00172838  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0209


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8110       2 -69.7039       3 -69.7545       4 -69.7072       5 -69.8280
 
 
 
 E-fermi :   3.2414     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2414488223

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9216      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7159      1.00000
      5      -4.2264      1.00000
      6      -1.5027      1.00000
      7       1.7983      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2204      0.00000
     14      16.0223      0.00000
     15      16.0289      0.00000
     16      16.0366      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1395      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1405      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1825      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2738      0.00000
     16      12.6271      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2839      0.00000
     16      12.6258      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2737      0.00000
     16      12.6273      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8875      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.7947      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.8995      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.7800      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9945      0.00000
     16      10.4981      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9946      0.00000
     16      10.5196      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5177      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5823      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5402      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6805      0.00000
     16      12.5622      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4521      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9432      0.00000
     16       9.6381      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4084      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4096      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2058      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3165      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2058      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3145      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3153      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4070      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4102      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4071      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4673     -0.00000
     16       8.8358      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4672     -0.00000
     16       8.8348      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4670     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8334      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4671     -0.00000
     16       8.8367      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4720     -0.00000
     16       8.8405      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2777     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3177     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3477     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2896     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2768     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3674     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8887     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8885     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01575
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8893     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6382     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5782      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6530     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6441     -0.00000
 Fermi energy:         3.2414488223

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9216      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7159      1.00000
      5      -4.2264      1.00000
      6      -1.5027      1.00000
      7       1.7983      1.00000
      8       4.6983     -0.00000
      9       5.3691     -0.00000
     10       7.9195     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2204      0.00000
     14      16.0242      0.00000
     15      16.0304      0.00000
     16      16.0700      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1437      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1400      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0524      1.00000
      8       4.9161     -0.00000
      9       5.5767     -0.00000
     10       8.1186     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8003      0.00000
     15      13.5915      0.00000
     16      14.1409      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2742      0.00000
     16      12.6243      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2736      0.00000
     16      12.6270      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9596      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2024      1.00000
      6      -0.5030      1.00000
      7       2.7868      1.00300
      8       5.5393     -0.00000
      9       6.1901     -0.00000
     10       8.3736     -0.00000
     11       8.7575      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2736      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7188      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9589     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3367     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9813      0.00000
     16      10.8861      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.7515      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.8490      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2592      1.00000
      6       1.1596      1.00000
      7       2.0880      1.00000
      8       2.8635      1.01125
      9       3.7679     -0.00063
     10       5.4639     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6940     -0.00000
     15       9.9685      0.00000
     16      10.9244      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9948      0.00000
     16      10.4981      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9945      0.00000
     16      10.3287      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8961     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.5063      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5516      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5627      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2080      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9885     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9862      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5352      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2437      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2140      1.00000
      3      -6.8328      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4703     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0505     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7203      1.00000
      3      -5.3323      1.00000
      4      -3.4564      1.00000
      5      -0.9461      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84682
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6026     -0.00000
     11       7.1597     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0278      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4084      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.5099      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4082      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4082      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4088      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2898      1.00000
      6       0.4667      1.00000
      7       1.3390      1.00000
      8       2.4123      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4294      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2058      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3147      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2058      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3148      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2058      1.00000
      3      -2.2419      1.00000
      4      -2.2395      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6083     -0.01314
     10       3.7653     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3145      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4479      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4416      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9696      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1887      1.00000
      6       1.4359      1.00000
      7       4.3423     -0.00000
      8       5.4324     -0.00000
      9       5.8385     -0.00000
     10       6.4756     -0.00000
     11       6.7943     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4075      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4670     -0.00000
     16       8.8337      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4679     -0.00000
     16       8.8346      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4677     -0.00000
     16       8.8371      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4670     -0.00000
     16       8.8333      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4671     -0.00000
     16       8.8514      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2059      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9702      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7657      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5825     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4670     -0.00000
     16       8.8333      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2801     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2867     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2770     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3794     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75194
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.3192     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2304      1.00000
      5      -0.3549      1.00000
      6       0.1793      1.00000
      7       1.3007      1.00000
      8       2.8171      1.00530
      9       3.1786      0.75195
     10       4.0599     -0.00000
     11       4.8253     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9248     -0.00000
     16       8.2911     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8891     -0.00000
     16       7.9373     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8880     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2272      1.00000
      3      -1.8444      1.00000
      4      -0.0652      1.00000
      5       1.1864      1.00000
      6       1.1930      1.00000
      7       1.7543      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2053     -0.00000
     12       5.3080     -0.00000
     13       5.3525     -0.00000
     14       6.0197     -0.00000
     15       7.8889     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5782      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6459     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5782      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6383     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7014      1.00000
      3      -0.7784      1.00000
      4      -0.7396      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9850      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6394     -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
  8.063  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.063  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.257 -62.093   0.000  -0.082  -0.000  -0.000  -0.022   0.000
-62.093  33.164  -0.000   0.035   0.000   0.000   0.013  -0.000
  0.000  -0.000   2.115  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.115   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.0472: real time    201.8153
    FORNL :  cpu time      0.0783: real time      0.0785
    FORCOR:  cpu time      1.1869: real time      1.1897
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.442E-05 0.218E-05 0.184E+03   0.506E-13 0.258E-13 -.183E+03   0.463E-05 -.302E-05 -.122E+01
   0.165E-05 -.289E-05 0.928E+02   0.166E-14 0.435E-14 -.929E+02   -.238E-05 0.336E-05 0.195E+00
   -.658E-05 -.228E-06 -.503E+00   -.153E-12 -.896E-13 0.500E+00   0.895E-05 0.639E-06 -.129E-01
   0.184E-05 -.258E-05 -.939E+02   0.145E-12 0.871E-13 0.939E+02   -.247E-05 0.332E-05 0.501E-01
   -.933E-05 0.301E-05 -.183E+03   -.392E-13 -.242E-13 0.182E+03   0.976E-05 -.407E-05 0.984E+00
 -----------------------------------------------------------------------------------------------
   -.173E-04 -.265E-06 -.177E-01   0.439E-14 0.346E-14 -.284E-13   0.185E-04 0.226E-06 -.600E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000001     -0.083505
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.096606
      1.42873      0.82488      4.63049         0.000001      0.000000     -0.011352
      2.85746      1.64976      6.92628        -0.000001      0.000001     -0.004516
      0.00000      0.00000      9.30424         0.000000     -0.000001      0.002768
 -----------------------------------------------------------------------------------
    total drift:                                0.000002     -0.000000     -0.023499


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883250 eV

  energy  without entropy=      -13.89069812  energy(sigma->0) =      -13.88945437
 
 d Force = 0.1232560E-06[ 0.131E-07, 0.233E-06]  d Energy = 0.1049185E-05-0.926E-06
 d Force = 0.1828302E-01[ 0.183E-01, 0.183E-01]  d Ewald  = 0.1828302E-01-0.585E-11


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


    POTLOK:  cpu time      1.1906: real time      1.1934


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0716
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0570: real time      0.0572
    POTLOK:  cpu time      1.1881: real time      1.1909
    EDDIAG:  cpu time    256.7952: real time    257.7968
    CHARGE:  cpu time      0.1069: real time      0.1073
 writing wavefunctions
     LOOP+:  cpu time   4049.0091: real time   4065.0037


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


    POTLOK:  cpu time      0.4184: real time      0.4198
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    255.1939: real time    256.1494
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1066: real time      0.1070
    --------------------------------------------
      LOOP:  cpu time    256.4938: real time    257.4530

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1553989E-02  (-0.6250866E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0007639 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19262543
  -exchange      EXHF   =        33.38316506
  -V(xc)+E(xc)   XCENC  =       -83.51718994
  PAW double counting   =    101661.71289204  -101560.76243859
  entropy T*S    EENTRO =         0.00200024
  eigenvalues    EBANDS =       -34.93097392
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88727633 eV

  energy without entropy =      -13.88927657  energy(sigma->0) =      -13.88794308
  exchange ACFDT corr.  =        -0.00169225  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7682: real time      0.7695
    TRIAL :  cpu time    254.5013: real time    255.4821
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    255.7995: real time    256.7834

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7933559E-03  (-0.6015570E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007645 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.24019676
  -exchange      EXHF   =        33.38340692
  -V(xc)+E(xc)   XCENC  =       -83.51714929
  PAW double counting   =    101660.23081092  -101559.28043467
  entropy T*S    EENTRO =         0.00196810
  eigenvalues    EBANDS =       -34.88285918
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88648298 eV

  energy without entropy =      -13.88845108  energy(sigma->0) =      -13.88713901
  exchange ACFDT corr.  =        -0.00166731  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7679: real time      0.7693
    TRIAL :  cpu time    253.9538: real time    254.9225
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    255.2518: real time    256.2236

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2002436E-02  (-0.1742380E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007648 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.18066676
  -exchange      EXHF   =        33.38312683
  -V(xc)+E(xc)   XCENC  =       -83.51725064
  PAW double counting   =    101660.85832842  -101559.90791712
  entropy T*S    EENTRO =         0.00197000
  eigenvalues    EBANDS =       -34.94401310
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88848541 eV

  energy without entropy =      -13.89045541  energy(sigma->0) =      -13.88914208
  exchange ACFDT corr.  =        -0.00168746  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7705: real time      0.7719
    TRIAL :  cpu time    255.5023: real time    256.4842
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    256.8026: real time    257.7877

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1503216E-03  (-0.7537340E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007648 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.17261415
  -exchange      EXHF   =        33.38315849
  -V(xc)+E(xc)   XCENC  =       -83.51725969
  PAW double counting   =    101659.99771558  -101559.04729716
  entropy T*S    EENTRO =         0.00198442
  eigenvalues    EBANDS =       -34.95224764
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88863574 eV

  energy without entropy =      -13.89062016  energy(sigma->0) =      -13.88929721
  exchange ACFDT corr.  =        -0.00168745  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7710: real time      0.7724
    TRIAL :  cpu time    255.3270: real time    256.2917
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    256.6286: real time    257.5964

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1399243E-03  (-0.8678027E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007654 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19131907
  -exchange      EXHF   =        33.38334043
  -V(xc)+E(xc)   XCENC  =       -83.51721850
  PAW double counting   =    101658.94973225  -101557.99933502
  entropy T*S    EENTRO =         0.00197133
  eigenvalues    EBANDS =       -34.93361917
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88849581 eV

  energy without entropy =      -13.89046714  energy(sigma->0) =      -13.88915292
  exchange ACFDT corr.  =        -0.00167946  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4219
    SETDIJ:  cpu time      0.7706: real time      0.7720
    TRIAL :  cpu time    254.5774: real time    255.5456
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    255.8782: real time    256.8495

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2747452E-03  (-0.4182439E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007652 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.18067139
  -exchange      EXHF   =        33.38335126
  -V(xc)+E(xc)   XCENC  =       -83.51721317
  PAW double counting   =    101658.96631952  -101558.01591277
  entropy T*S    EENTRO =         0.00197184
  eigenvalues    EBANDS =       -34.94455419
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877056 eV

  energy without entropy =      -13.89074240  energy(sigma->0) =      -13.88942784
  exchange ACFDT corr.  =        -0.00168705  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7694: real time      0.7708
    TRIAL :  cpu time    254.2803: real time    255.2309
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    255.5803: real time    256.5340

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3401311E-04  (-0.9337038E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007648 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.18902542
  -exchange      EXHF   =        33.38344003
  -V(xc)+E(xc)   XCENC  =       -83.51718334
  PAW double counting   =    101658.84392893  -101557.89351003
  entropy T*S    EENTRO =         0.00197641
  eigenvalues    EBANDS =       -34.93636544
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880457 eV

  energy without entropy =      -13.89078098  energy(sigma->0) =      -13.88946337
  exchange ACFDT corr.  =        -0.00168656  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7691: real time      0.7705
    TRIAL :  cpu time    254.4190: real time    255.3684
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    255.7190: real time    256.6715

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2217380E-04  (-0.1247717E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007647 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19978366
  -exchange      EXHF   =        33.38352366
  -V(xc)+E(xc)   XCENC  =       -83.51715748
  PAW double counting   =    101658.71198624  -101557.76156297
  entropy T*S    EENTRO =         0.00197101
  eigenvalues    EBANDS =       -34.92570345
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878240 eV

  energy without entropy =      -13.89075341  energy(sigma->0) =      -13.88943940
  exchange ACFDT corr.  =        -0.00168354  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7687: real time      0.7701
    TRIAL :  cpu time    254.1390: real time    255.1180
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    255.4379: real time    256.4200

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3819391E-04  (-0.9110626E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19432879
  -exchange      EXHF   =        33.38350783
  -V(xc)+E(xc)   XCENC  =       -83.51715836
  PAW double counting   =    101658.88140219  -101557.93096296
  entropy T*S    EENTRO =         0.00197119
  eigenvalues    EBANDS =       -34.93119036
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882059 eV

  energy without entropy =      -13.89079178  energy(sigma->0) =      -13.88947765
  exchange ACFDT corr.  =        -0.00168638  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7658: real time      0.7672
    TRIAL :  cpu time    254.5665: real time    255.5380
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    255.8625: real time    256.8372

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7116694E-05  (-0.1197380E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007638 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19452269
  -exchange      EXHF   =        33.38351031
  -V(xc)+E(xc)   XCENC  =       -83.51715810
  PAW double counting   =    101658.91477219  -101557.96431898
  entropy T*S    EENTRO =         0.00197288
  eigenvalues    EBANDS =       -34.93102048
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882771 eV

  energy without entropy =      -13.89080059  energy(sigma->0) =      -13.88948533
  exchange ACFDT corr.  =        -0.00168603  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4221
    SETDIJ:  cpu time      0.7715: real time      0.7729
    TRIAL :  cpu time    255.3520: real time    256.3403
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    256.6538: real time    257.6453

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2937588E-05  (-0.1824664E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007634 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19628674
  -exchange      EXHF   =        33.38351513
  -V(xc)+E(xc)   XCENC  =       -83.51715875
  PAW double counting   =    101659.09377677  -101558.14332183
  entropy T*S    EENTRO =         0.00197099
  eigenvalues    EBANDS =       -34.92926107
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882477 eV

  energy without entropy =      -13.89079576  energy(sigma->0) =      -13.88948176
  exchange ACFDT corr.  =        -0.00168486  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4222
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    255.6121: real time    256.6217
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.0516: real time    257.0608
    CHARGE:  cpu time      0.1068: real time      0.1072
    --------------------------------------------
      LOOP:  cpu time    512.9624: real time    514.9843

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5507456E-05  (-0.1989523E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007627 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.83655460
  -Hartree energ DENC   =      -717.19342949
  -exchange      EXHF   =        33.38349548
  -V(xc)+E(xc)   XCENC  =       -83.51716486
  PAW double counting   =    101659.45354879  -101558.50309794
  entropy T*S    EENTRO =         0.00197122
  eigenvalues    EBANDS =       -34.93209255
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883028 eV

  energy without entropy =      -13.89080150  energy(sigma->0) =      -13.88948735
  exchange ACFDT corr.  =        -0.00168583  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1362


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8131       2 -69.7049       3 -69.7534       4 -69.7061       5 -69.8273
 
 
 
 E-fermi :   3.2394     XC(G=0):  -5.1068     alpha+bet : -8.9779

 Fermi energy:         3.2393979212

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9243      1.00000
      2      -9.9508      1.00000
      3      -8.5795      1.00000
      4      -6.7184      1.00000
      5      -4.2257      1.00000
      6      -1.5030      1.00000
      7       1.8000      1.00000
      8       4.6974     -0.00000
      9       5.3688     -0.00000
     10       7.9194     -0.00000
     11       8.0213     -0.00000
     12      11.8928      0.00000
     13      12.2207      0.00000
     14      16.0189      0.00000
     15      16.0251      0.00000
     16      16.0326      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1366      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1372      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1657      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7134      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2719      0.00000
     16      12.6263      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7134      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2783      0.00000
     16      12.6247      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7135      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2718      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8871      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.7680      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.8925      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.7540      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9940      0.00000
     16      10.4949      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9941      0.00000
     16      10.5193      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9938      0.00000
     16      10.5170      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6830      0.00000
     16      12.5800      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6831      0.00000
     16      12.5399      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6831      0.00000
     16      12.5611      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2445      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
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     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
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     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4323      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9450      0.00000
     16       9.6103      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4071      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4078      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4069      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4069      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3177      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3163      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3169      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4049      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4067      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4049      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4660     -0.00000
     16       8.8344      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8337      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8323      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4658     -0.00000
     16       8.8325      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8353      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4689     -0.00000
     16       8.8367      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.3105     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74975
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.3393     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2852     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74975
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2748     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.3574     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8893     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8891     -0.00000
     16       7.9373     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8897     -0.00000
     16       7.9373     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6382     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6502     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6430     -0.00000
 Fermi energy:         3.2393979212

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9243      1.00000
      2      -9.9508      1.00000
      3      -8.5795      1.00000
      4      -6.7184      1.00000
      5      -4.2257      1.00000
      6      -1.5030      1.00000
      7       1.8000      1.00000
      8       4.6974     -0.00000
      9       5.3688     -0.00000
     10       7.9194     -0.00000
     11       8.0213     -0.00000
     12      11.8928      0.00000
     13      12.2207      0.00000
     14      16.0211      0.00000
     15      16.0277      0.00000
     16      16.0562      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1393      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1369      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7025      1.00000
      3      -8.3299      1.00000
      4      -6.4670      1.00000
      5      -3.9690      1.00000
      6      -1.2522      1.00000
      7       2.0541      1.00000
      8       4.9153     -0.00000
      9       5.5764     -0.00000
     10       8.1185     -0.00000
     11       8.2166     -0.00000
     12      12.0244      0.00000
     13      12.3132      0.00000
     14      12.7986      0.00000
     15      13.5930      0.00000
     16      14.1375      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7135      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2721      0.00000
     16      12.6228      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7135      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2717      0.00000
     16      12.6262      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9338      1.00000
      2      -8.9574      1.00000
      3      -7.5809      1.00000
      4      -5.7135      1.00000
      5      -3.2018      1.00000
      6      -0.5033      1.00000
      7       2.7885      1.00322
      8       5.5385     -0.00000
      9       6.1898     -0.00000
     10       8.3720     -0.00000
     11       8.7573      0.00000
     12       9.2684      0.00000
     13       9.7172      0.00000
     14      10.8026      0.00000
     15      12.2717      0.00000
     16      12.6261      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6947      1.00000
      2      -7.7142      1.00000
      3      -6.3315      1.00000
      4      -4.4591      1.00000
      5      -1.9361      1.00000
      6       0.7185      1.00000
      7       3.7742     -0.00052
      8       4.9952     -0.00000
      9       5.9613     -0.00000
     10       6.7300     -0.00000
     11       7.1831     -0.00000
     12       7.3372     -0.00000
     13       8.7948      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.7275      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.8344      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9569      1.00000
      2      -5.9700      1.00000
      3      -4.5806      1.00000
      4      -2.7140      1.00000
      5      -0.2587      1.00000
      6       1.1570      1.00000
      7       2.0889      1.00000
      8       2.8643      1.01171
      9       3.7693     -0.00059
     10       5.4618     -0.00000
     11       5.7498     -0.00000
     12       7.7454     -0.00000
     13       8.2263     -0.00000
     14       8.6937     -0.00000
     15       9.9683      0.00000
     16      10.9209      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9942      0.00000
     16      10.4949      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9939      0.00000
     16      10.3008      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7168      1.00000
      2      -3.7250      1.00000
      3      -2.3493      1.00000
      4      -1.9867      1.00000
      5      -1.0863      1.00000
      6      -0.5387      1.00000
      7       0.5748      1.00000
      8       2.1918      1.00000
      9       2.5961      1.00003
     10       4.6683     -0.00000
     11       4.8960     -0.00000
     12       7.1660     -0.00000
     13       7.6770     -0.00000
     14       9.8161      0.00000
     15       9.9939      0.00000
     16      10.5041      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6831      0.00000
     16      12.5511      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6830      0.00000
     16      12.5618      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1815      1.00000
      2      -9.2058      1.00000
      3      -7.8306      1.00000
      4      -5.9646      1.00000
      5      -3.4570      1.00000
      6      -0.7521      1.00000
      7       2.5493      1.00001
      8       5.3399     -0.00000
      9       5.9882     -0.00000
     10       8.4959     -0.00000
     11       8.5679     -0.00000
     12      10.9432      0.00000
     13      10.9837      0.00000
     14      11.5224      0.00000
     15      11.6831      0.00000
     16      12.5362      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2445      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2445      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1905      1.00000
      2      -8.2117      1.00000
      3      -6.8315      1.00000
      4      -4.9606      1.00000
      5      -2.4398      1.00000
      6       0.2374      1.00000
      7       3.4718     -0.03478
      8       6.0162     -0.00000
      9       6.7293     -0.00000
     10       7.2659     -0.00000
     11       7.9097     -0.00000
     12       8.9471      0.00000
     13       9.1571      0.00000
     14       9.6021      0.00000
     15       9.8004      0.00000
     16      10.2444      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7019      1.00000
      2      -6.7181      1.00000
      3      -5.3309      1.00000
      4      -3.4590      1.00000
      5      -0.9455      1.00000
      6       1.6225      1.00000
      7       3.1466      0.84899
      8       4.2126     -0.00000
      9       5.1634     -0.00000
     10       5.6038     -0.00000
     11       7.1573     -0.00000
     12       7.5097     -0.00000
     13       8.0499     -0.00000
     14       8.4759     -0.00000
     15       9.0293      0.00000
     16       9.6552      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4070      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4731      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4069      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4069      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4073      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7121      1.00000
      2      -4.7220      1.00000
      3      -3.3329      1.00000
      4      -1.4985      1.00000
      5      -0.2930      1.00000
      6       0.4687      1.00000
      7       1.3400      1.00000
      8       2.4136      1.00000
      9       3.7940     -0.00031
     10       4.0888     -0.00000
     11       6.2669     -0.00000
     12       6.7404     -0.00000
     13       7.6933     -0.00000
     14       8.4545     -0.00000
     15       8.9448      0.00000
     16       9.4185      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3164      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3165      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2348      1.00000
      2      -3.2089      1.00000
      3      -2.2389      1.00000
      4      -2.2379      1.00000
      5      -1.0930      1.00000
      6      -0.6973      1.00000
      7       0.8150      1.00000
      8       1.5804      1.00000
      9       3.6087     -0.01272
     10       3.7663     -0.00062
     11       5.8260     -0.00000
     12       6.2248     -0.00000
     13       7.3486     -0.00000
     14       8.1782     -0.00000
     15       9.0469      0.00000
     16       9.3162      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4306      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4260      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9500      1.00000
      2      -6.9673      1.00000
      3      -5.5812      1.00000
      4      -3.7088      1.00000
      5      -1.1881      1.00000
      6       1.4355      1.00000
      7       4.3425     -0.00000
      8       5.4298     -0.00000
      9       5.8373     -0.00000
     10       6.4771     -0.00000
     11       6.7971     -0.00000
     12       7.3068     -0.00000
     13       7.7850     -0.00000
     14       7.9008     -0.00000
     15       8.0136     -0.00000
     16       9.4051      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4663     -0.00000
     16       8.8332      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4662     -0.00000
     16       8.8353      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4658     -0.00000
     16       8.8325      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8459      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2088      1.00000
      2      -5.2213      1.00000
      3      -3.8303      1.00000
      4      -1.9727      1.00000
      5       0.4550      1.00000
      6       1.8858      1.00000
      7       2.7664      1.00207
      8       3.5166     -0.03225
      9       4.4307     -0.00000
     10       4.5803     -0.00000
     11       5.4830     -0.00000
     12       6.0605     -0.00000
     13       6.6807     -0.00000
     14       7.1662     -0.00000
     15       8.4659     -0.00000
     16       8.8325      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2777     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74975
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2813     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.2746     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74974
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.3700     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74973
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9243     -0.00000
     16       8.3127     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9640      1.00000
      2      -2.9771      1.00000
      3      -1.6073      1.00000
      4      -1.2334      1.00000
      5      -0.3534      1.00000
      6       0.1784      1.00000
      7       1.3013      1.00000
      8       2.8167      1.00545
      9       3.1772      0.74975
     10       4.0572     -0.00000
     11       4.8271     -0.00000
     12       5.6189     -0.00000
     13       5.8969     -0.00000
     14       6.7816     -0.00000
     15       7.9244     -0.00000
     16       8.2847     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8896     -0.00000
     16       7.9375     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8889     -0.00000
     16       7.9373     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2113      1.00000
      2      -3.2248      1.00000
      3      -1.8430      1.00000
      4      -0.0675      1.00000
      5       1.1831      1.00000
      6       1.1898      1.00000
      7       1.7569      1.00000
      8       2.1582      1.00000
      9       2.9202      1.02332
     10       3.4288     -0.01832
     11       4.2062     -0.00000
     12       5.3078     -0.00000
     13       5.3503     -0.00000
     14       6.0174     -0.00000
     15       7.8895     -0.00000
     16       7.9373     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6444     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6383     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7335      1.00000
      2      -1.7045      1.00000
      3      -0.7769      1.00000
      4      -0.7365      1.00000
      5       0.3573      1.00000
      6       0.7260      1.00000
      7       0.9822      1.00000
      8       1.7614      1.00000
      9       2.3146      1.00000
     10       2.5775      1.00002
     11       3.9080     -0.00001
     12       5.2103     -0.00000
     13       5.4604     -0.00000
     14       5.6148     -0.00000
     15       7.3067     -0.00000
     16       7.6392     -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
  8.064  13.765   0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.765  23.491  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.253 -62.091   0.000  -0.082  -0.000  -0.000  -0.022   0.000
-62.091  33.163  -0.000   0.035   0.000   0.000   0.013  -0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051   0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000   0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    201.2713: real time    201.9937
    FORNL :  cpu time      0.0786: real time      0.0788
    FORCOR:  cpu time      1.1892: real time      1.1920
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.744E-06 0.362E-05 0.185E+03   0.501E-13 0.258E-13 -.183E+03   0.110E-05 -.449E-05 -.122E+01
   -.839E-07 -.307E-05 0.928E+02   0.323E-14 0.648E-14 -.929E+02   -.638E-06 0.330E-05 0.185E+00
   -.221E-05 0.767E-06 -.551E+00   -.153E-12 -.903E-13 0.558E+00   0.496E-05 0.118E-06 -.447E-02
   -.342E-06 -.210E-05 -.940E+02   0.151E-12 0.868E-13 0.940E+02   0.496E-06 0.184E-05 0.715E-01
   -.208E-05 0.434E-05 -.183E+03   -.465E-13 -.253E-13 0.182E+03   0.225E-05 -.461E-05 0.970E+00
 -----------------------------------------------------------------------------------------------
   -.515E-05 0.415E-05 0.104E-01   0.439E-14 0.346E-14 0.284E-13   0.817E-05 -.385E-05 -.172E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.091888
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.092978
      1.42873      0.82488      4.62842         0.000002      0.000001      0.000467
      2.85746      1.64976      6.92323        -0.000001     -0.000001      0.009907
      0.00000      0.00000      9.30405        -0.000000     -0.000000     -0.011464
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000000      0.010878


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883028 eV

  energy  without entropy=      -13.89080150  energy(sigma->0) =      -13.88948735
 
 d Force = 0.3905289E-05[-0.289E-04, 0.368E-04]  d Energy =-0.2226192E-05 0.613E-05
 d Force =-0.3209227E+00[-0.321E+00,-0.321E+00]  d Ewald  =-0.3209227E+00-0.463E-08


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


    POTLOK:  cpu time      1.1886: real time      1.1913


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


 Conjugate gradient step on ions:
 trial-energy change:    0.000002  1 .order   -0.000004   -0.000037    0.000029
  (g-gl).g = 0.128E-04      g.g   = 0.757E-05  gl.gl    = 0.663E-04
 g(Force)  = 0.757E-05   g(Stress)= 0.000E+00 ortho     =-0.258E-06
 gamma     =   0.19262
 trial     =   4.88700
 opt step  =   2.73400  (harmonic =   2.73400) maximal distance =0.00000000
 next E    =   -13.888843   (d E  =  -0.00001)


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


    WAVPRE:  cpu time      0.0036: real time      0.0486
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1906: real time      1.1933
    EDDIAG:  cpu time    256.4336: real time    257.4051
    CHARGE:  cpu time      0.1068: real time      0.1072
 writing wavefunctions
     LOOP+:  cpu time   3791.1839: real time   3806.1073


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


    POTLOK:  cpu time      0.4433: real time      0.4447
    SETDIJ:  cpu time      0.7707: real time      0.7721
    TRIAL :  cpu time    255.2892: real time    256.2611
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.6148: real time    257.7278

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1487770E-03  (-0.5857612E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007659 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.05055656
  -exchange      EXHF   =        33.38331579
  -V(xc)+E(xc)   XCENC  =       -83.51720847
  PAW double counting   =    101656.13913795  -101555.18871866
  entropy T*S    EENTRO =         0.00191671
  eigenvalues    EBANDS =       -34.93307536
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88867599 eV

  energy without entropy =      -13.89059270  energy(sigma->0) =      -13.88931489
  exchange ACFDT corr.  =        -0.00170206  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4227
    SETDIJ:  cpu time      0.7657: real time      0.7671
    TRIAL :  cpu time    255.1205: real time    256.0923
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.4173: real time    257.3924

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6630131E-04  (-0.5623292E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007662 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.03969487
  -exchange      EXHF   =        33.38324750
  -V(xc)+E(xc)   XCENC  =       -83.51721479
  PAW double counting   =    101656.09674877  -101555.14629909
  entropy T*S    EENTRO =         0.00192567
  eigenvalues    EBANDS =       -34.94381325
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88860969 eV

  energy without entropy =      -13.89053536  energy(sigma->0) =      -13.88925158
  exchange ACFDT corr.  =        -0.00170915  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7700: real time      0.7714
    TRIAL :  cpu time    255.0974: real time    256.0655
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    256.3982: real time    257.3694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1911068E-03  (-0.2006167E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007669 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.05820906
  -exchange      EXHF   =        33.38331950
  -V(xc)+E(xc)   XCENC  =       -83.51718753
  PAW double counting   =    101655.46305923  -101554.51261108
  entropy T*S    EENTRO =         0.00192523
  eigenvalues    EBANDS =       -34.92559687
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880080 eV

  energy without entropy =      -13.89072603  energy(sigma->0) =      -13.88944254
  exchange ACFDT corr.  =        -0.00170337  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7674: real time      0.7688
    TRIAL :  cpu time    254.8770: real time    255.8344
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.1746: real time    257.1351

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1673219E-04  (-0.7147932E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007674 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.06224709
  -exchange      EXHF   =        33.38330534
  -V(xc)+E(xc)   XCENC  =       -83.51718614
  PAW double counting   =    101655.15271098  -101554.20227804
  entropy T*S    EENTRO =         0.00192114
  eigenvalues    EBANDS =       -34.92154715
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881753 eV

  energy without entropy =      -13.89073867  energy(sigma->0) =      -13.88945791
  exchange ACFDT corr.  =        -0.00170317  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4223
    SETDIJ:  cpu time      0.7694: real time      0.7707
    TRIAL :  cpu time    255.1504: real time    256.1278
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    256.4508: real time    257.4315

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1203719E-04  (-0.8219673E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007672 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.05698623
  -exchange      EXHF   =        33.38324401
  -V(xc)+E(xc)   XCENC  =       -83.51720093
  PAW double counting   =    101655.17455771  -101554.22411330
  entropy T*S    EENTRO =         0.00192521
  eigenvalues    EBANDS =       -34.92672724
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880549 eV

  energy without entropy =      -13.89073070  energy(sigma->0) =      -13.88944723
  exchange ACFDT corr.  =        -0.00170534  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7692: real time      0.7706
    TRIAL :  cpu time    255.1338: real time    256.0896
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.4339: real time    257.3929

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2545172E-04  (-0.4899459E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007669 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.05886266
  -exchange      EXHF   =        33.38323011
  -V(xc)+E(xc)   XCENC  =       -83.51720593
  PAW double counting   =    101655.41601459  -101554.46557478
  entropy T*S    EENTRO =         0.00192506
  eigenvalues    EBANDS =       -34.92485684
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883094 eV

  energy without entropy =      -13.89075600  energy(sigma->0) =      -13.88947263
  exchange ACFDT corr.  =        -0.00170299  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7675: real time      0.7689
    TRIAL :  cpu time    255.8626: real time    256.8513
    CORREC:  cpu time      0.0021: real time      0.0021
    EDDIAG:  cpu time    255.8446: real time    256.8371
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    513.0056: real time    514.9899

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3757202E-05  (-0.7750634E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007666 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.69511510
  -Hartree energ DENC   =      -717.05531373
  -exchange      EXHF   =        33.38317597
  -V(xc)+E(xc)   XCENC  =       -83.51721538
  PAW double counting   =    101655.86114469  -101554.91068498
  entropy T*S    EENTRO =         0.00192379
  eigenvalues    EBANDS =       -34.92838734
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883470 eV

  energy without entropy =      -13.89075849  energy(sigma->0) =      -13.88947597
  exchange ACFDT corr.  =        -0.00170318  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1237


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7972       2 -69.6930       3 -69.7535       4 -69.7177       5 -69.8427
 
 
 
 E-fermi :   3.2404     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2404065656

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9224      1.00000
      2      -9.9517      1.00000
      3      -8.5804      1.00000
      4      -6.7174      1.00000
      5      -4.2258      1.00000
      6      -1.5028      1.00000
      7       1.7991      1.00000
      8       4.6978     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0214     -0.00000
     12      11.8931      0.00000
     13      12.2204      0.00000
     14      16.0208      0.00000
     15      16.0273      0.00000
     16      16.0346      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1387      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1631      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2726      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2780      0.00000
     16      12.6251      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2725      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8870      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7548      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8895      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7415      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.4932      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9944      0.00000
     16      10.5193      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5168      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5801      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5396      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5588      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1567      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1567      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4257      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9442      0.00000
     16       9.5861      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4075      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4081      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4074      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4074      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3162      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3149      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3154      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4054      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4065      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4054      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8345      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8339      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8326      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4662     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8352      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4687     -0.00000
     16       8.8366      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9245     -0.00000
     16       8.2755     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.3080     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.3351     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.2848     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.2754     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9245     -0.00000
     16       8.3528     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8888     -0.00000
     16       7.9375     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8887     -0.00000
     16       7.9375     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8891     -0.00000
     16       7.9375     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6383     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6490     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6422     -0.00000
 Fermi energy:         3.2404065656

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9224      1.00000
      2      -9.9517      1.00000
      3      -8.5804      1.00000
      4      -6.7174      1.00000
      5      -4.2258      1.00000
      6      -1.5028      1.00000
      7       1.7991      1.00000
      8       4.6978     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0214     -0.00000
     12      11.8931      0.00000
     13      12.2204      0.00000
     14      16.0223      0.00000
     15      16.0286      0.00000
     16      16.0554      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1410      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1390      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6747      1.00000
      2      -9.7034      1.00000
      3      -8.3308      1.00000
      4      -6.4660      1.00000
      5      -3.9691      1.00000
      6      -1.2519      1.00000
      7       2.0533      1.00000
      8       4.9156     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2167     -0.00000
     12      12.0249      0.00000
     13      12.3133      0.00000
     14      12.8000      0.00000
     15      13.5925      0.00000
     16      14.1395      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2728      0.00000
     16      12.6233      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2724      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9318      1.00000
      2      -8.9583      1.00000
      3      -7.5819      1.00000
      4      -5.7124      1.00000
      5      -3.2018      1.00000
      6      -0.5031      1.00000
      7       2.7876      1.00312
      8       5.5388     -0.00000
      9       6.1898     -0.00000
     10       8.3730     -0.00000
     11       8.7573      0.00000
     12       9.2691      0.00000
     13       9.7168      0.00000
     14      10.8014      0.00000
     15      12.2724      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6927      1.00000
      2      -7.7152      1.00000
      3      -6.3325      1.00000
      4      -4.4581      1.00000
      5      -1.9361      1.00000
      6       0.7188      1.00000
      7       3.7740     -0.00053
      8       4.9966     -0.00000
      9       5.9602     -0.00000
     10       6.7304     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7957      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7172      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8241      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9549      1.00000
      2      -5.9709      1.00000
      3      -4.5816      1.00000
      4      -2.7129      1.00000
      5      -0.2587      1.00000
      6       1.1588      1.00000
      7       2.0885      1.00000
      8       2.8642      1.01150
      9       3.7682     -0.00061
     10       5.4626     -0.00000
     11       5.7492     -0.00000
     12       7.7454     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.9199      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9945      0.00000
     16      10.4931      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.2924      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7147      1.00000
      2      -3.7259      1.00000
      3      -2.3504      1.00000
      4      -1.9845      1.00000
      5      -1.0870      1.00000
      6      -0.5385      1.00000
      7       0.5742      1.00000
      8       2.1921      1.00000
      9       2.5966      1.00003
     10       4.6682     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6762     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5030      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5491      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5617      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1795      1.00000
      2      -9.2067      1.00000
      3      -7.8316      1.00000
      4      -5.9636      1.00000
      5      -3.4571      1.00000
      6      -0.7519      1.00000
      7       2.5485      1.00001
      8       5.3402     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9455      0.00000
     13      10.9856      0.00000
     14      11.5214      0.00000
     15      11.6823      0.00000
     16      12.5348      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1567      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2442      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1567      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2442      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1885      1.00000
      2      -8.2127      1.00000
      3      -6.8325      1.00000
      4      -4.9596      1.00000
      5      -2.4399      1.00000
      6       0.2377      1.00000
      7       3.4710     -0.03461
      8       6.0167     -0.00000
      9       6.7296     -0.00000
     10       7.2675     -0.00000
     11       7.9087     -0.00000
     12       8.9477      0.00000
     13       9.1566      0.00000
     14       9.6023      0.00000
     15       9.8010      0.00000
     16      10.2441      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6999      1.00000
      2      -6.7191      1.00000
      3      -5.3319      1.00000
      4      -3.4580      1.00000
      5      -0.9456      1.00000
      6       1.6229      1.00000
      7       3.1484      0.84807
      8       4.2120     -0.00000
      9       5.1624     -0.00000
     10       5.6029     -0.00000
     11       7.1583     -0.00000
     12       7.5103     -0.00000
     13       8.0501     -0.00000
     14       8.4773     -0.00000
     15       9.0287      0.00000
     16       9.6546      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4074      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4543      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4074      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4074      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4077      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7100      1.00000
      2      -4.7230      1.00000
      3      -3.3339      1.00000
      4      -1.4975      1.00000
      5      -0.2908      1.00000
      6       0.4678      1.00000
      7       1.3395      1.00000
      8       2.4128      1.00000
      9       3.7941     -0.00032
     10       4.0898     -0.00000
     11       6.2671     -0.00000
     12       6.7399     -0.00000
     13       7.6943     -0.00000
     14       8.4543     -0.00000
     15       8.9441      0.00000
     16       9.4161      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3149      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2325      1.00000
      2      -3.2069      1.00000
      3      -2.2400      1.00000
      4      -2.2386      1.00000
      5      -1.0943      1.00000
      6      -0.6981      1.00000
      7       0.8160      1.00000
      8       1.5813      1.00000
      9       3.6086     -0.01291
     10       3.7662     -0.00064
     11       5.8265     -0.00000
     12       6.2250     -0.00000
     13       7.3503     -0.00000
     14       8.1776     -0.00000
     15       9.0461      0.00000
     16       9.3148      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4258      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4216      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9480      1.00000
      2      -6.9683      1.00000
      3      -5.5821      1.00000
      4      -3.7078      1.00000
      5      -1.1882      1.00000
      6       1.4358      1.00000
      7       4.3425     -0.00000
      8       5.4317     -0.00000
      9       5.8384     -0.00000
     10       6.4764     -0.00000
     11       6.7962     -0.00000
     12       7.3063     -0.00000
     13       7.7845     -0.00000
     14       7.9009     -0.00000
     15       8.0130     -0.00000
     16       9.4056      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8331      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4666     -0.00000
     16       8.8335      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4666     -0.00000
     16       8.8354      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8448      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2068      1.00000
      2      -5.2223      1.00000
      3      -3.8313      1.00000
      4      -1.9717      1.00000
      5       0.4551      1.00000
      6       1.8876      1.00000
      7       2.7661      1.00202
      8       3.5166     -0.03247
      9       4.4298     -0.00000
     10       4.5819     -0.00000
     11       5.4824     -0.00000
     12       6.0608     -0.00000
     13       6.6797     -0.00000
     14       7.1656     -0.00000
     15       8.4663     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.2780     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.2810     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75071
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.2751     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.3644     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9244     -0.00000
     16       8.3098     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9619      1.00000
      2      -2.9780      1.00000
      3      -1.6083      1.00000
      4      -1.2313      1.00000
      5      -0.3541      1.00000
      6       0.1786      1.00000
      7       1.3007      1.00000
      8       2.8170      1.00537
      9       3.1778      0.75072
     10       4.0590     -0.00000
     11       4.8262     -0.00000
     12       5.6193     -0.00000
     13       5.8964     -0.00000
     14       6.7808     -0.00000
     15       7.9245     -0.00000
     16       8.2843     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8890     -0.00000
     16       7.9376     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8884     -0.00000
     16       7.9375     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2092      1.00000
      2      -3.2258      1.00000
      3      -1.8440      1.00000
      4      -0.0666      1.00000
      5       1.1852      1.00000
      6       1.1923      1.00000
      7       1.7557      1.00000
      8       2.1575      1.00000
      9       2.9202      1.02294
     10       3.4271     -0.01714
     11       4.2056     -0.00000
     12       5.3080     -0.00000
     13       5.3511     -0.00000
     14       6.0183     -0.00000
     15       7.8889     -0.00000
     16       7.9375     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6436     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6384     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7312      1.00000
      2      -1.7025      1.00000
      3      -0.7776      1.00000
      4      -0.7376      1.00000
      5       0.3559      1.00000
      6       0.7253      1.00000
      7       0.9843      1.00000
      8       1.7606      1.00000
      9       2.3151      1.00000
     10       2.5775      1.00001
     11       3.9078     -0.00001
     12       5.2110     -0.00000
     13       5.4595     -0.00000
     14       5.6157     -0.00000
     15       7.3069     -0.00000
     16       7.6393     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.246 -62.087   0.000  -0.082  -0.000  -0.000  -0.022  -0.000
-62.087  33.162  -0.000   0.035   0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.5314: real time    202.2976
    FORNL :  cpu time      0.0784: real time      0.0786
    FORCOR:  cpu time      1.1885: real time      1.1912
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.811E-06 0.423E-05 0.184E+03   0.507E-13 0.260E-13 -.183E+03   0.716E-06 -.556E-05 -.122E+01
   0.841E-06 0.952E-06 0.928E+02   0.440E-14 0.538E-14 -.929E+02   -.212E-05 -.121E-05 0.189E+00
   -.482E-06 -.211E-05 -.512E+00   -.154E-12 -.812E-13 0.532E+00   0.208E-05 0.294E-05 -.931E-02
   0.248E-05 0.168E-05 -.940E+02   0.145E-12 0.776E-13 0.939E+02   -.313E-05 -.187E-05 0.599E-01
   0.442E-06 0.440E-05 -.183E+03   -.412E-13 -.243E-13 0.182E+03   -.866E-06 -.584E-05 0.975E+00
 -----------------------------------------------------------------------------------------------
   0.375E-05 0.104E-04 0.395E-01   0.439E-14 0.346E-14 0.000E+00   -.331E-05 -.115E-04 -.848E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.097930
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.099856
      1.42873      0.82488      4.62933         0.000001      0.000001      0.004837
      2.85746      1.64976      6.92457         0.000000      0.000001      0.007755
      0.00000      0.00000      9.30413        -0.000000     -0.000001     -0.014518
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001      0.030928


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883470 eV

  energy  without entropy=      -13.89075849  energy(sigma->0) =      -13.88947597
 
 d Force = 0.1317927E-04[ 0.136E-04, 0.128E-04]  d Energy = 0.4424929E-05 0.875E-05
 d Force = 0.1414395E+00[ 0.141E+00, 0.141E+00]  d Ewald  = 0.1414395E+00 0.388E-09


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


    POTLOK:  cpu time      1.1904: real time      1.1931


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




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


    WAVPRE:  cpu time      0.8085: real time      0.9728
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0572: real time      0.0573
    POTLOK:  cpu time      1.1907: real time      1.1934
    EDDIAG:  cpu time    257.8604: real time    258.8494
    CHARGE:  cpu time      0.1073: real time      0.1077
 writing wavefunctions
     LOOP+:  cpu time   2516.0931: real time   2526.2195


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


    POTLOK:  cpu time      0.4184: real time      0.4198
    SETDIJ:  cpu time      0.7753: real time      0.7768
    TRIAL :  cpu time    255.5612: real time    256.5226
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.8663: real time    257.9704

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2800716E-02  (-0.1266371E-01)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007687 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -717.00742679
  -exchange      EXHF   =        33.38325390
  -V(xc)+E(xc)   XCENC  =       -83.51719285
  PAW double counting   =    101653.33577841  -101552.38532851
  entropy T*S    EENTRO =         0.00186784
  eigenvalues    EBANDS =       -34.89156687
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88603023 eV

  energy without entropy =      -13.88789807  energy(sigma->0) =      -13.88665284
  exchange ACFDT corr.  =        -0.00169843  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7682: real time      0.7695
    TRIAL :  cpu time    254.9951: real time    255.9574
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.2941: real time    257.2596

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1718004E-02  (-0.1210801E-01)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0007677 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.93247534
  -exchange      EXHF   =        33.38286760
  -V(xc)+E(xc)   XCENC  =       -83.51727982
  PAW double counting   =    101654.44680083  -101553.49631071
  entropy T*S    EENTRO =         0.00190875
  eigenvalues    EBANDS =       -34.96430820
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88431222 eV

  energy without entropy =      -13.88622097  energy(sigma->0) =      -13.88494847
  exchange ACFDT corr.  =        -0.00173222  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4217
    SETDIJ:  cpu time      0.7682: real time      0.7696
    TRIAL :  cpu time    254.8587: real time    255.8069
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.1573: real time    257.1087

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3991402E-02  (-0.2409262E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007679 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.98350048
  -exchange      EXHF   =        33.38314757
  -V(xc)+E(xc)   XCENC  =       -83.51720734
  PAW double counting   =    101654.18883794  -101553.23838196
  entropy T*S    EENTRO =         0.00190722
  eigenvalues    EBANDS =       -34.91763369
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88830363 eV

  energy without entropy =      -13.89021085  energy(sigma->0) =      -13.88893937
  exchange ACFDT corr.  =        -0.00170819  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7677: real time      0.7691
    TRIAL :  cpu time    255.2766: real time    256.2691
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.5751: real time    257.5707

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2132005E-03  (-0.1526417E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007684 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.98790588
  -exchange      EXHF   =        33.38313911
  -V(xc)+E(xc)   XCENC  =       -83.51720425
  PAW double counting   =    101654.39584588  -101553.44539107
  entropy T*S    EENTRO =         0.00188705
  eigenvalues    EBANDS =       -34.91343342
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88851683 eV

  energy without entropy =      -13.89040387  energy(sigma->0) =      -13.88914584
  exchange ACFDT corr.  =        -0.00170884  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4226: real time      0.4240
    SETDIJ:  cpu time      0.7674: real time      0.7688
    TRIAL :  cpu time    255.4011: real time    256.4004
    CORREC:  cpu time      0.0020: real time      0.0021
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    256.7006: real time    257.7031

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3175647E-03  (-0.1751729E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007678 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.96563840
  -exchange      EXHF   =        33.38298340
  -V(xc)+E(xc)   XCENC  =       -83.51724111
  PAW double counting   =    101655.03128321  -101554.08081729
  entropy T*S    EENTRO =         0.00190389
  eigenvalues    EBANDS =       -34.93518169
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88819926 eV

  energy without entropy =      -13.89010315  energy(sigma->0) =      -13.88883389
  exchange ACFDT corr.  =        -0.00172040  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4222: real time      0.4237
    SETDIJ:  cpu time      0.7677: real time      0.7691
    TRIAL :  cpu time    255.6568: real time    256.6410
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.9569: real time    257.9444

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5440542E-03  (-0.6960946E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007677 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.98321748
  -exchange      EXHF   =        33.38306200
  -V(xc)+E(xc)   XCENC  =       -83.51722504
  PAW double counting   =    101654.91790327  -101553.96744282
  entropy T*S    EENTRO =         0.00190175
  eigenvalues    EBANDS =       -34.91825272
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88874332 eV

  energy without entropy =      -13.89064507  energy(sigma->0) =      -13.88937723
  exchange ACFDT corr.  =        -0.00171076  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4230: real time      0.4244
    SETDIJ:  cpu time      0.7701: real time      0.7715
    TRIAL :  cpu time    255.7863: real time    256.7272
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.0893: real time    258.0334

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5649997E-04  (-0.1834390E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007676 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.97650905
  -exchange      EXHF   =        33.38301760
  -V(xc)+E(xc)   XCENC  =       -83.51723945
  PAW double counting   =    101655.20602925  -101554.25556210
  entropy T*S    EENTRO =         0.00189410
  eigenvalues    EBANDS =       -34.92496341
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879982 eV

  energy without entropy =      -13.89069392  energy(sigma->0) =      -13.88943118
  exchange ACFDT corr.  =        -0.00171201  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7689: real time      0.7702
    TRIAL :  cpu time    254.9835: real time    255.9244
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    256.2836: real time    257.2277

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5261951E-04  (-0.2505636E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007672 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.96577427
  -exchange      EXHF   =        33.38295223
  -V(xc)+E(xc)   XCENC  =       -83.51725642
  PAW double counting   =    101655.62957072  -101554.67908771
  entropy T*S    EENTRO =         0.00190078
  eigenvalues    EBANDS =       -34.93557144
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88874720 eV

  energy without entropy =      -13.89064797  energy(sigma->0) =      -13.88938079
  exchange ACFDT corr.  =        -0.00171658  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7711: real time      0.7724
    TRIAL :  cpu time    255.2516: real time    256.1993
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.5533: real time    257.5041

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7357843E-04  (-0.1498291E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007671 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.97500157
  -exchange      EXHF   =        33.38299818
  -V(xc)+E(xc)   XCENC  =       -83.51724586
  PAW double counting   =    101655.77364378  -101554.82316830
  entropy T*S    EENTRO =         0.00189976
  eigenvalues    EBANDS =       -34.92647336
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882077 eV

  energy without entropy =      -13.89072054  energy(sigma->0) =      -13.88945403
  exchange ACFDT corr.  =        -0.00171280  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7692: real time      0.7705
    TRIAL :  cpu time    254.7833: real time    255.7339
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.0828: real time    257.0365

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1135074E-04  (-0.2208945E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007669 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.97460785
  -exchange      EXHF   =        33.38299654
  -V(xc)+E(xc)   XCENC  =       -83.51724590
  PAW double counting   =    101656.04589685  -101555.09541578
  entropy T*S    EENTRO =         0.00189680
  eigenvalues    EBANDS =       -34.92688134
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883213 eV

  energy without entropy =      -13.89072893  energy(sigma->0) =      -13.88946439
  exchange ACFDT corr.  =        -0.00171344  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7698: real time      0.7711
    TRIAL :  cpu time    254.5825: real time    255.5435
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    255.8835: real time    256.8476

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8188125E-05  (-0.3550877E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007666 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.97110597
  -exchange      EXHF   =        33.38298115
  -V(xc)+E(xc)   XCENC  =       -83.51724918
  PAW double counting   =    101656.38831834  -101555.43783841
  entropy T*S    EENTRO =         0.00189909
  eigenvalues    EBANDS =       -34.93035226
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882394 eV

  energy without entropy =      -13.89072303  energy(sigma->0) =      -13.88945697
  exchange ACFDT corr.  =        -0.00171519  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    255.6267: real time    256.5939
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    255.8752: real time    256.8468
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    512.8014: real time    514.7435

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9937032E-05  (-0.2784667E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007663 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.61314133
  -Hartree energ DENC   =      -716.97406248
  -exchange      EXHF   =        33.38299920
  -V(xc)+E(xc)   XCENC  =       -83.51724464
  PAW double counting   =    101656.65151865  -101555.70103463
  entropy T*S    EENTRO =         0.00189851
  eigenvalues    EBANDS =       -34.92743605
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883387 eV

  energy without entropy =      -13.89073239  energy(sigma->0) =      -13.88946671
  exchange ACFDT corr.  =        -0.00171390  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1081


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7945       2 -69.6913       3 -69.7538       4 -69.7194       5 -69.8450
 
 
 
 E-fermi :   3.2409     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2408727529

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9216      1.00000
      2      -9.9523      1.00000
      3      -8.5808      1.00000
      4      -6.7167      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7987      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0217      0.00000
     15      16.0278      0.00000
     16      16.0345      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1395      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1399      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1556      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2730      0.00000
     16      12.6269      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2765      0.00000
     16      12.6252      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2729      0.00000
     16      12.6271      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8866      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01138
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7297      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01138
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8822      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01138
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7177      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.4900      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.5193      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5163      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5776      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5383      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5563      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84752
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
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      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84752
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4181      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9437      0.00000
     16       9.5466      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4081      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3142      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3146      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4058      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4064      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4058      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4666     -0.00000
     16       8.8341      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8336      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8345      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4679     -0.00000
     16       8.8353      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2756     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.3026     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.3270     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2827     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2756     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.3429     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8886     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6381     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6467     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6412     -0.00000
 Fermi energy:         3.2408727529

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9216      1.00000
      2      -9.9523      1.00000
      3      -8.5808      1.00000
      4      -6.7167      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7987      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0229      0.00000
     15      16.0288      0.00000
     16      16.0476      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1410      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1397      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6740      1.00000
      2      -9.7040      1.00000
      3      -8.3313      1.00000
      4      -6.4654      1.00000
      5      -3.9693      1.00000
      6      -1.2519      1.00000
      7       2.0528      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0251      0.00000
     13      12.3134      0.00000
     14      12.8005      0.00000
     15      13.5921      0.00000
     16      14.1400      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2732      0.00000
     16      12.6233      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2729      0.00000
     16      12.6268      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9310      1.00000
      2      -8.9589      1.00000
      3      -7.5823      1.00000
      4      -5.7118      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7872      1.00307
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3734     -0.00000
     11       8.7574      0.00000
     12       9.2694      0.00000
     13       9.7165      0.00000
     14      10.8009      0.00000
     15      12.2729      0.00000
     16      12.6267      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6919      1.00000
      2      -7.7158      1.00000
      3      -6.3329      1.00000
      4      -4.4574      1.00000
      5      -1.9363      1.00000
      6       0.7189      1.00000
      7       3.7738     -0.00054
      8       4.9971     -0.00000
      9       5.9596     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7963      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01139
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6956      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01138
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8101      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9541      1.00000
      2      -5.9715      1.00000
      3      -4.5820      1.00000
      4      -2.7123      1.00000
      5      -0.2588      1.00000
      6       1.1595      1.00000
      7       2.0883      1.00000
      8       2.8640      1.01138
      9       3.7678     -0.00062
     10       5.4632     -0.00000
     11       5.7489     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.9164      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9945      0.00000
     16      10.4899      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.2804      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7139      1.00000
      2      -3.7266      1.00000
      3      -2.3508      1.00000
      4      -1.9836      1.00000
      5      -1.0874      1.00000
      6      -0.5382      1.00000
      7       0.5740      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6757     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5006      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5474      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5600      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1787      1.00000
      2      -9.2073      1.00000
      3      -7.8320      1.00000
      4      -5.9629      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5480      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9465      0.00000
     13      10.9864      0.00000
     14      11.5209      0.00000
     15      11.6816      0.00000
     16      12.5339      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1877      1.00000
      2      -8.2133      1.00000
      3      -6.8329      1.00000
      4      -4.9589      1.00000
      5      -2.4401      1.00000
      6       0.2378      1.00000
      7       3.4707     -0.03449
      8       6.0170     -0.00000
      9       6.7298     -0.00000
     10       7.2682     -0.00000
     11       7.9081     -0.00000
     12       8.9481      0.00000
     13       9.1564      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2438      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6991      1.00000
      2      -6.7197      1.00000
      3      -5.3324      1.00000
      4      -3.4573      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1492      0.84753
      8       4.2115     -0.00000
      9       5.1618     -0.00000
     10       5.6025     -0.00000
     11       7.1589     -0.00000
     12       7.5105     -0.00000
     13       8.0503     -0.00000
     14       8.4779     -0.00000
     15       9.0283      0.00000
     16       9.6542      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4367      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7092      1.00000
      2      -4.7236      1.00000
      3      -3.3344      1.00000
      4      -1.4968      1.00000
      5      -0.2899      1.00000
      6       0.4673      1.00000
      7       1.3393      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0905     -0.00000
     11       6.2671     -0.00000
     12       6.7396     -0.00000
     13       7.6947     -0.00000
     14       8.4542     -0.00000
     15       8.9436      0.00000
     16       9.4128      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3143      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3143      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2317      1.00000
      2      -3.2060      1.00000
      3      -2.2408      1.00000
      4      -2.2390      1.00000
      5      -1.0949      1.00000
      6      -0.6985      1.00000
      7       0.8166      1.00000
      8       1.5820      1.00000
      9       3.6085     -0.01301
     10       3.7659     -0.00065
     11       5.8267     -0.00000
     12       6.2249     -0.00000
     13       7.3509     -0.00000
     14       8.1772     -0.00000
     15       9.0454      0.00000
     16       9.3142      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4177      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4150      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9472      1.00000
      2      -6.9689      1.00000
      3      -5.5826      1.00000
      4      -3.7071      1.00000
      5      -1.1883      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8388     -0.00000
     10       6.4760     -0.00000
     11       6.7955     -0.00000
     12       7.3062     -0.00000
     13       7.7843     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8331      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4667     -0.00000
     16       8.8333      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4667     -0.00000
     16       8.8346      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8413      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2060      1.00000
      2      -5.2229      1.00000
      3      -3.8318      1.00000
      4      -1.9711      1.00000
      5       0.4549      1.00000
      6       1.8883      1.00000
      7       2.7659      1.00199
      8       3.5164     -0.03258
      9       4.4295     -0.00000
     10       4.5826     -0.00000
     11       5.4821     -0.00000
     12       6.0611     -0.00000
     13       6.6791     -0.00000
     14       7.1654     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2776     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2793     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2754     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75126
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.3540     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.3043     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9610      1.00000
      2      -2.9787      1.00000
      3      -1.6088      1.00000
      4      -1.2304      1.00000
      5      -0.3545      1.00000
      6       0.1788      1.00000
      7       1.3005      1.00000
      8       2.8171      1.00534
      9       3.1782      0.75127
     10       4.0598     -0.00000
     11       4.8257     -0.00000
     12       5.6194     -0.00000
     13       5.8961     -0.00000
     14       6.7804     -0.00000
     15       7.9245     -0.00000
     16       8.2818     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8882     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2084      1.00000
      2      -3.2264      1.00000
      3      -1.8445      1.00000
      4      -0.0659      1.00000
      5       1.1861      1.00000
      6       1.1931      1.00000
      7       1.7550      1.00000
      8       2.1571      1.00000
      9       2.9198      1.02275
     10       3.4265     -0.01654
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6424     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6382     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7304      1.00000
      2      -1.7017      1.00000
      3      -0.7779      1.00000
      4      -0.7384      1.00000
      5       0.3553      1.00000
      6       0.7250      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3155      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2112     -0.00000
     13       5.4590     -0.00000
     14       5.6161     -0.00000
     15       7.3070     -0.00000
     16       7.6389     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.764  23.489   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.089   0.000  -0.082  -0.000  -0.000  -0.022   0.000
-62.089  33.162  -0.000   0.035   0.000   0.000   0.013  -0.000
  0.000  -0.000   2.114   0.000  -0.000  -0.328  -0.000   0.000
 -0.082   0.035   0.000   1.661   0.000   0.000  -0.255  -0.000
 -0.000   0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013  -0.000  -0.255  -0.000  -0.000   0.039   0.000
  0.000  -0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.0949: real time    202.8266
    FORNL :  cpu time      0.0787: real time      0.0789
    FORCOR:  cpu time      1.1881: real time      1.1908
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.317E-06 0.712E-05 0.184E+03   0.499E-13 0.257E-13 -.183E+03   -.999E-06 -.883E-05 -.122E+01
   0.198E-05 0.267E-05 0.928E+02   0.676E-14 0.473E-14 -.929E+02   -.339E-05 -.300E-05 0.192E+00
   -.261E-05 -.251E-08 -.516E+00   -.156E-12 -.828E-13 0.517E+00   0.381E-05 -.310E-06 -.117E-01
   0.233E-05 0.114E-05 -.940E+02   0.147E-12 0.780E-13 0.939E+02   -.313E-05 -.741E-06 0.548E-01
   -.262E-05 0.703E-05 -.183E+03   -.425E-13 -.222E-13 0.182E+03   0.228E-05 -.897E-05 0.980E+00
 -----------------------------------------------------------------------------------------------
   0.944E-06 0.199E-04 -.452E-02   0.439E-14 0.346E-14 0.000E+00   -.143E-05 -.219E-04 -.753E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.086521
      0.00000      0.00000      2.33311        -0.000001      0.000000      0.096543
      1.42873      0.82488      4.62986         0.000001      0.000000     -0.007489
      2.85746      1.64976      6.92535        -0.000000      0.000001     -0.000380
      0.00000      0.00000      9.30418         0.000000     -0.000001     -0.002153
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000003     -0.012033


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883387 eV

  energy  without entropy=      -13.89073239  energy(sigma->0) =      -13.88946671
 
 d Force = 0.1762308E-05[-0.437E-05, 0.789E-05]  d Energy =-0.8265758E-06 0.259E-05
 d Force = 0.8197376E-01[ 0.820E-01, 0.820E-01]  d Ewald  = 0.8197376E-01 0.851E-10


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


    POTLOK:  cpu time      1.1919: real time      1.1947


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0480
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1904: real time      1.1932
    EDDIAG:  cpu time    257.4174: real time    258.4396
    CHARGE:  cpu time      0.1074: real time      0.1078
 writing wavefunctions
     LOOP+:  cpu time   3798.1708: real time   3812.9427


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


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    255.5744: real time    256.5236
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.8763: real time    257.9737

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3082689E-03  (-0.1452194E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007653 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -716.99555210
  -exchange      EXHF   =        33.38299084
  -V(xc)+E(xc)   XCENC  =       -83.51724511
  PAW double counting   =    101657.80219605  -101556.85171606
  entropy T*S    EENTRO =         0.00191948
  eigenvalues    EBANDS =       -34.93481027
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88851567 eV

  energy without entropy =      -13.89043515  energy(sigma->0) =      -13.88915549
  exchange ACFDT corr.  =        -0.00171536  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7669: real time      0.7683
    TRIAL :  cpu time    254.6453: real time    255.6060
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    255.9437: real time    256.9076

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1974664E-03  (-0.1390077E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007655 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -717.01784872
  -exchange      EXHF   =        33.38311568
  -V(xc)+E(xc)   XCENC  =       -83.51721495
  PAW double counting   =    101657.51991435  -101556.56942176
  entropy T*S    EENTRO =         0.00190392
  eigenvalues    EBANDS =       -34.91250391
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88831820 eV

  energy without entropy =      -13.89022212  energy(sigma->0) =      -13.88895284
  exchange ACFDT corr.  =        -0.00170385  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4223: real time      0.4238
    SETDIJ:  cpu time      0.7686: real time      0.7701
    TRIAL :  cpu time    255.4898: real time    256.4570
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    256.7911: real time    257.7615

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4571360E-03  (-0.2886110E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007653 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -716.99555636
  -exchange      EXHF   =        33.38300222
  -V(xc)+E(xc)   XCENC  =       -83.51724799
  PAW double counting   =    101658.35986954  -101557.40939359
  entropy T*S    EENTRO =         0.00190504
  eigenvalues    EBANDS =       -34.93507471
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877534 eV

  energy without entropy =      -13.89068038  energy(sigma->0) =      -13.88941035
  exchange ACFDT corr.  =        -0.00171292  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4225: real time      0.4239
    SETDIJ:  cpu time      0.7688: real time      0.7702
    TRIAL :  cpu time    255.3019: real time    256.2589
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    256.6031: real time    257.5633

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2541444E-04  (-0.1735975E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007649 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -716.99694058
  -exchange      EXHF   =        33.38301236
  -V(xc)+E(xc)   XCENC  =       -83.51724675
  PAW double counting   =    101658.69682905  -101557.74635153
  entropy T*S    EENTRO =         0.00191241
  eigenvalues    EBANDS =       -34.93372997
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880075 eV

  energy without entropy =      -13.89071316  energy(sigma->0) =      -13.88943822
  exchange ACFDT corr.  =        -0.00171243  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4222: real time      0.4236
    SETDIJ:  cpu time      0.7690: real time      0.7704
    TRIAL :  cpu time    254.8010: real time    255.7539
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.1025: real time    257.0585

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3653552E-04  (-0.1999465E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007649 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -717.00699818
  -exchange      EXHF   =        33.38307011
  -V(xc)+E(xc)   XCENC  =       -83.51723214
  PAW double counting   =    101658.84232689  -101557.89185447
  entropy T*S    EENTRO =         0.00190643
  eigenvalues    EBANDS =       -34.92371046
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88876422 eV

  energy without entropy =      -13.89067065  energy(sigma->0) =      -13.88939969
  exchange ACFDT corr.  =        -0.00170822  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7686: real time      0.7701
    TRIAL :  cpu time    255.6312: real time    256.5838
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    256.9314: real time    257.8873

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6211428E-04  (-0.7799600E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007647 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -716.99976519
  -exchange      EXHF   =        33.38303872
  -V(xc)+E(xc)   XCENC  =       -83.51724021
  PAW double counting   =    101659.27233111  -101558.32185388
  entropy T*S    EENTRO =         0.00190686
  eigenvalues    EBANDS =       -34.93096493
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882633 eV

  energy without entropy =      -13.89073320  energy(sigma->0) =      -13.88946195
  exchange ACFDT corr.  =        -0.00171162  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4220
    SETDIJ:  cpu time      0.7678: real time      0.7692
    TRIAL :  cpu time    256.3214: real time    257.3122
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    257.6195: real time    258.6135

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6348518E-05  (-0.2114782E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007645 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -717.00049490
  -exchange      EXHF   =        33.38304854
  -V(xc)+E(xc)   XCENC  =       -83.51723741
  PAW double counting   =    101659.51844992  -101558.56797330
  entropy T*S    EENTRO =         0.00190937
  eigenvalues    EBANDS =       -34.93025402
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883268 eV

  energy without entropy =      -13.89074205  energy(sigma->0) =      -13.88946913
  exchange ACFDT corr.  =        -0.00171142  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7677: real time      0.7690
    TRIAL :  cpu time    255.2626: real time    256.1940
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.5612: real time    257.4957

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5970749E-05  (-0.2856329E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007644 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -717.00400286
  -exchange      EXHF   =        33.38307001
  -V(xc)+E(xc)   XCENC  =       -83.51723155
  PAW double counting   =    101659.67783797  -101558.72737132
  entropy T*S    EENTRO =         0.00190708
  eigenvalues    EBANDS =       -34.92675994
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882671 eV

  energy without entropy =      -13.89073379  energy(sigma->0) =      -13.88946240
  exchange ACFDT corr.  =        -0.00170995  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7696: real time      0.7709
    TRIAL :  cpu time    255.9034: real time    256.8480
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    255.6763: real time    256.6214
    CHARGE:  cpu time      0.1070: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    512.8801: real time    514.7730

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8420831E-05  (-0.1649704E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007644 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.64233737
  -Hartree energ DENC   =      -717.00153894
  -exchange      EXHF   =        33.38306032
  -V(xc)+E(xc)   XCENC  =       -83.51723440
  PAW double counting   =    101659.86080131  -101558.91032493
  entropy T*S    EENTRO =         0.00190735
  eigenvalues    EBANDS =       -34.92922466
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883513 eV

  energy without entropy =      -13.89074248  energy(sigma->0) =      -13.88947091
  exchange ACFDT corr.  =        -0.00171125  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0078


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8147       2 -69.7062       3 -69.7541       4 -69.7047       5 -69.8249
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2406673688

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9520      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0259      0.00000
     16      16.0321      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1385      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1507      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2729      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2756      0.00000
     16      12.6249      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2729      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7114      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.8763      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7013      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.4870      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.5193      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5160      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5739      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4959     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5372      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5560      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84767
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84767
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4144      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.5092      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4080      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3159      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3152      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3154      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4067      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8336      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8333      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8341      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4676     -0.00000
     16       8.8345      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2755     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2995     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3225     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2812     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2755     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3369     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8887     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6380     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6458     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6410     -0.00000
 Fermi energy:         3.2406673688

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9520      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0225      0.00000
     15      16.0281      0.00000
     16      16.0419      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1394      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7037      1.00000
      3      -8.3306      1.00000
      4      -6.4655      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0532      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1386      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2730      0.00000
     16      12.6228      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7119      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7166      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7155      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6832      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7912      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7124      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01143
      9       3.7686     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.9135      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9943      0.00000
     16      10.4869      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2711      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7263      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5746      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4987      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5477      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5575      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5347      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2130      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4710     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84767
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84768
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7194      1.00000
      3      -5.3316      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84767
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4259      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3336      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4106      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3152      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3153      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2071      1.00000
      3      -2.2407      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01297
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3152      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4147      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4134      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9686      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4763     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4061      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4667     -0.00000
     16       8.8330      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4666     -0.00000
     16       8.8340      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8392      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1660     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2771     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2784     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3488     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3013     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6080      1.00000
      4      -1.2317      1.00000
      5      -0.3542      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00536
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8261     -0.00000
     12       5.6191     -0.00000
     13       5.8962     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2802     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8886     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2262      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02283
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8886     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6419     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6381     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7256      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4597     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6386     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.249 -62.089   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.089  33.162  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    201.9950: real time    202.7313
    FORNL :  cpu time      0.0785: real time      0.0787
    FORCOR:  cpu time      1.1895: real time      1.1923
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.180E-06 0.479E-05 0.184E+03   0.504E-13 0.262E-13 -.183E+03   -.481E-06 -.579E-05 -.122E+01
   0.119E-05 -.655E-06 0.928E+02   0.321E-14 0.590E-14 -.929E+02   -.177E-05 0.834E-06 0.191E+00
   -.362E-05 0.854E-06 -.512E+00   -.156E-12 -.908E-13 0.523E+00   0.463E-05 -.110E-05 -.104E-01
   0.236E-07 -.184E-05 -.940E+02   0.149E-12 0.867E-13 0.939E+02   0.497E-07 0.250E-05 0.574E-01
   -.177E-05 0.497E-05 -.183E+03   -.420E-13 -.245E-13 0.182E+03   0.165E-05 -.605E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.336E-05 0.908E-05 0.172E-01   0.439E-14 0.346E-14 -.284E-13   0.408E-05 -.961E-05 -.659E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.092162
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.098074
      1.42873      0.82488      4.62967         0.000000     -0.000000     -0.001319
      2.85746      1.64976      6.92507         0.000000      0.000001      0.003732
      0.00000      0.00000      9.30417         0.000000     -0.000001     -0.008325
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001      0.010862


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883513 eV

  energy  without entropy=      -13.89074248  energy(sigma->0) =      -13.88947091
 
 d Force = 0.4567570E-06[-0.641E-06, 0.156E-05]  d Energy = 0.1255480E-05-0.799E-06
 d Force =-0.2919604E-01[-0.292E-01,-0.292E-01]  d Ewald  =-0.2919604E-01-0.352E-11


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


    POTLOK:  cpu time      1.1905: real time      1.1933


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0611
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1878: real time      1.1906
    EDDIAG:  cpu time    258.3124: real time    259.3257
    CHARGE:  cpu time      0.1072: real time      0.1076
 writing wavefunctions
     LOOP+:  cpu time   3031.0829: real time   3042.8660


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


    POTLOK:  cpu time      0.4190: real time      0.4204
    SETDIJ:  cpu time      0.7668: real time      0.7682
    TRIAL :  cpu time    256.4329: real time    257.4209
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.7303: real time    258.8568

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3228412E-03  (-0.1509203E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007647 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -717.00304600
  -exchange      EXHF   =        33.38310221
  -V(xc)+E(xc)   XCENC  =       -83.51722444
  PAW double counting   =    101659.49374879  -101558.54327214
  entropy T*S    EENTRO =         0.00189375
  eigenvalues    EBANDS =       -34.91892069
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88850387 eV

  energy without entropy =      -13.89039762  energy(sigma->0) =      -13.88913512
  exchange ACFDT corr.  =        -0.00170678  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7686: real time      0.7700
    TRIAL :  cpu time    255.2233: real time    256.1850
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    256.5225: real time    257.4874

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2058522E-03  (-0.1445613E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.97938741
  -exchange      EXHF   =        33.38297173
  -V(xc)+E(xc)   XCENC  =       -83.51725542
  PAW double counting   =    101660.03752799  -101559.08704602
  entropy T*S    EENTRO =         0.00190889
  eigenvalues    EBANDS =       -34.94219712
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88829802 eV

  energy without entropy =      -13.89020690  energy(sigma->0) =      -13.88893431
  exchange ACFDT corr.  =        -0.00171835  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7705: real time      0.7718
    TRIAL :  cpu time    255.6094: real time    256.5505
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    256.9109: real time    257.8552

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4752936E-03  (-0.2984420E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99926664
  -exchange      EXHF   =        33.38307767
  -V(xc)+E(xc)   XCENC  =       -83.51722871
  PAW double counting   =    101659.80655562  -101558.85608703
  entropy T*S    EENTRO =         0.00190793
  eigenvalues    EBANDS =       -34.92292759
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877331 eV

  energy without entropy =      -13.89068123  energy(sigma->0) =      -13.88940928
  exchange ACFDT corr.  =        -0.00170961  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7674: real time      0.7688
    TRIAL :  cpu time    255.0343: real time    256.0332
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.3321: real time    257.3342

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2628731E-04  (-0.1800860E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007645 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99814618
  -exchange      EXHF   =        33.38307090
  -V(xc)+E(xc)   XCENC  =       -83.51723018
  PAW double counting   =    101659.88614102  -101558.93567406
  entropy T*S    EENTRO =         0.00190058
  eigenvalues    EBANDS =       -34.92406350
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879960 eV

  energy without entropy =      -13.89070017  energy(sigma->0) =      -13.88943312
  exchange ACFDT corr.  =        -0.00171007  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4225
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    255.3079: real time    256.2705
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.6072: real time    257.5730

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3866040E-04  (-0.2099660E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.98862305
  -exchange      EXHF   =        33.38301776
  -V(xc)+E(xc)   XCENC  =       -83.51724293
  PAW double counting   =    101660.10880002  -101559.15832742
  entropy T*S    EENTRO =         0.00190652
  eigenvalues    EBANDS =       -34.93348038
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88876094 eV

  energy without entropy =      -13.89066745  energy(sigma->0) =      -13.88939644
  exchange ACFDT corr.  =        -0.00171437  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7708: real time      0.7721
    TRIAL :  cpu time    255.0265: real time    256.0615
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1090: real time      0.1095
    --------------------------------------------
      LOOP:  cpu time    256.3296: real time    257.3678

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6450605E-04  (-0.9117139E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99597534
  -exchange      EXHF   =        33.38305554
  -V(xc)+E(xc)   XCENC  =       -83.51723428
  PAW double counting   =    101660.02470481  -101559.07423698
  entropy T*S    EENTRO =         0.00190585
  eigenvalues    EBANDS =       -34.92624019
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882544 eV

  energy without entropy =      -13.89073129  energy(sigma->0) =      -13.88946072
  exchange ACFDT corr.  =        -0.00171094  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4223
    SETDIJ:  cpu time      0.7682: real time      0.7699
    TRIAL :  cpu time    256.0074: real time    257.0985
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.3061: real time    258.4010

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7277794E-05  (-0.2106430E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007643 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99508826
  -exchange      EXHF   =        33.38304882
  -V(xc)+E(xc)   XCENC  =       -83.51723611
  PAW double counting   =    101660.07852760  -101559.12805479
  entropy T*S    EENTRO =         0.00190322
  eigenvalues    EBANDS =       -34.92713031
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883272 eV

  energy without entropy =      -13.89073594  energy(sigma->0) =      -13.88946713
  exchange ACFDT corr.  =        -0.00171133  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4220
    SETDIJ:  cpu time      0.7710: real time      0.7726
    TRIAL :  cpu time    256.0880: real time    257.0286
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.3893: real time    258.3336

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6523098E-05  (-0.3014598E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007642 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99173006
  -exchange      EXHF   =        33.38302975
  -V(xc)+E(xc)   XCENC  =       -83.51724072
  PAW double counting   =    101660.18658074  -101559.23610294
  entropy T*S    EENTRO =         0.00190549
  eigenvalues    EBANDS =       -34.93046066
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882620 eV

  energy without entropy =      -13.89073168  energy(sigma->0) =      -13.88946136
  exchange ACFDT corr.  =        -0.00171285  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    255.8855: real time    256.8186
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.4080: real time    257.3912
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    513.5925: real time    515.5121

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8633935E-05  (-0.2072455E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007642 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63381023
  -Hartree energ DENC   =      -716.99458290
  -exchange      EXHF   =        33.38304359
  -V(xc)+E(xc)   XCENC  =       -83.51723712
  PAW double counting   =    101660.20153994  -101559.25106504
  entropy T*S    EENTRO =         0.00190508
  eigenvalues    EBANDS =       -34.92763534
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883483 eV

  energy without entropy =      -13.89073991  energy(sigma->0) =      -13.88946986
  exchange ACFDT corr.  =        -0.00171156  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0958


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7956       2 -69.6922       3 -69.7537       4 -69.7185       5 -69.8441
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407335618

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9218      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0215      0.00000
     15      16.0271      0.00000
     16      16.0337      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1395      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1489      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6268      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2749      0.00000
     16      12.6250      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6978      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8709      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6895      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4839      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.5192      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5156      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5744      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5373      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5537      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4125      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4724      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4078      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3149      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3143      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3146      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4059      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4665     -0.00000
     16       8.8336      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8333      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8339      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4672     -0.00000
     16       8.8342      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75115
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2970     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3184     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2803     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3317     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8884     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6381     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6446     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6404     -0.00000
 Fermi energy:         3.2407335618

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9218      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0225      0.00000
     15      16.0276      0.00000
     16      16.0413      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1402      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1394      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3312      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8004      0.00000
     15      13.5922      0.00000
     16      14.1396      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2729      0.00000
     16      12.6230      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9312      1.00000
      2      -8.9588      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6921      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4575      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9597     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6753      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7736      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01141
      9       3.7679     -0.00061
     10       5.4631     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2267     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.9111      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5969      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9944      0.00000
     16      10.4838      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.2666      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4967      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5459      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5577      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2072      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5481      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9862      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5337      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8328      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7298     -0.00000
     10       7.2680     -0.00000
     11       7.9082     -0.00000
     12       8.9480      0.00000
     13       9.1564      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6993      1.00000
      2      -6.7195      1.00000
      3      -5.3323      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84765
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5105     -0.00000
     13       8.0502     -0.00000
     14       8.4778     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4182      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4077      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7094      1.00000
      2      -4.7235      1.00000
      3      -3.3343      1.00000
      4      -1.4970      1.00000
      5      -0.2901      1.00000
      6       0.4674      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4101      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2319      1.00000
      2      -3.2062      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01299
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3508     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3143      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4115      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4102      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5825      1.00000
      4      -3.7072      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4323     -0.00000
      9       5.8387     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0128     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8329      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4665     -0.00000
     16       8.8330      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4665     -0.00000
     16       8.8339      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8382      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2768     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2774     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3433     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2984     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2306      1.00000
      5      -0.3544      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75114
     10       4.0596     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2792     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8884     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8882     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2086      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1859      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02280
     10       3.4267     -0.01670
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8884     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6412     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6381     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3554      1.00000
      6       0.7251      1.00000
      7       0.9849      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6387     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.251 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.8292: real time    202.5939
    FORNL :  cpu time      0.0787: real time      0.0789
    FORCOR:  cpu time      1.1876: real time      1.1904
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.232E-06 0.534E-05 0.184E+03   0.507E-13 0.260E-13 -.183E+03   -.767E-06 -.670E-05 -.122E+01
   0.115E-05 0.664E-06 0.928E+02   0.361E-14 0.914E-14 -.929E+02   -.223E-05 -.610E-06 0.191E+00
   -.387E-05 0.607E-06 -.520E+00   -.155E-12 -.908E-13 0.521E+00   0.534E-05 -.860E-06 -.106E-01
   0.212E-05 0.163E-06 -.940E+02   0.148E-12 0.800E-13 0.939E+02   -.254E-05 0.298E-06 0.571E-01
   -.204E-05 0.545E-05 -.183E+03   -.426E-13 -.208E-13 0.182E+03   0.175E-05 -.691E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.173E-05 0.134E-04 -.484E-02   0.439E-14 0.346E-14 0.000E+00   0.155E-05 -.148E-04 -.559E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.086903
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.095897
      1.42873      0.82488      4.62973         0.000002      0.000000     -0.006824
      2.85746      1.64976      6.92515        -0.000001      0.000001      0.000648
      0.00000      0.00000      9.30417         0.000000     -0.000001     -0.002818
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000002     -0.010263


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883483 eV

  energy  without entropy=      -13.89073991  energy(sigma->0) =      -13.88946986
 
 d Force =-0.7519602E-07[-0.338E-06, 0.187E-06]  d Energy =-0.2990576E-06 0.224E-06
 d Force = 0.8527141E-02[ 0.853E-02, 0.853E-02]  d Ewald  = 0.8527141E-02-0.205E-11


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


    POTLOK:  cpu time      1.1888: real time      1.1916


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0631
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1910: real time      1.1938
    EDDIAG:  cpu time    258.0438: real time    259.0233
    CHARGE:  cpu time      0.1069: real time      0.1073
 writing wavefunctions
     LOOP+:  cpu time   3032.9987: real time   3045.1278


--------------------------------------- Iteration     25(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4190: real time      0.4204
    SETDIJ:  cpu time      0.7688: real time      0.7701
    TRIAL :  cpu time    256.0106: real time    256.9983
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.3100: real time    258.4058

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2908024E-03  (-0.1367076E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007638 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.98948433
  -exchange      EXHF   =        33.38299730
  -V(xc)+E(xc)   XCENC  =       -83.51724727
  PAW double counting   =    101660.55996181  -101559.60948688
  entropy T*S    EENTRO =         0.00191772
  eigenvalues    EBANDS =       -34.93785322
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88853539 eV

  energy without entropy =      -13.89045312  energy(sigma->0) =      -13.88917463
  exchange ACFDT corr.  =        -0.00171616  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7680: real time      0.7694
    TRIAL :  cpu time    255.7931: real time    256.7471
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    257.0922: real time    258.0495

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1858839E-03  (-0.1307053E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007642 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -717.01375820
  -exchange      EXHF   =        33.38312788
  -V(xc)+E(xc)   XCENC  =       -83.51721384
  PAW double counting   =    101660.10288862  -101559.15240965
  entropy T*S    EENTRO =         0.00190270
  eigenvalues    EBANDS =       -34.91358120
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88834951 eV

  energy without entropy =      -13.89025221  energy(sigma->0) =      -13.88898374
  exchange ACFDT corr.  =        -0.00170481  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4225: real time      0.4240
    SETDIJ:  cpu time      0.7665: real time      0.7679
    TRIAL :  cpu time    255.1679: real time    256.1209
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    256.4667: real time    257.4229

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4300839E-03  (-0.2647211E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.99395122
  -exchange      EXHF   =        33.38302344
  -V(xc)+E(xc)   XCENC  =       -83.51724263
  PAW double counting   =    101660.63467772  -101559.68420340
  entropy T*S    EENTRO =         0.00190370
  eigenvalues    EBANDS =       -34.93366535
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877959 eV

  energy without entropy =      -13.89068329  energy(sigma->0) =      -13.88941416
  exchange ACFDT corr.  =        -0.00171345  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7671: real time      0.7684
    TRIAL :  cpu time    255.9503: real time    256.9085
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.2491: real time    258.2104

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2336395E-04  (-0.1636864E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007639 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.99529875
  -exchange      EXHF   =        33.38303000
  -V(xc)+E(xc)   XCENC  =       -83.51724135
  PAW double counting   =    101660.69683630  -101559.74635992
  entropy T*S    EENTRO =         0.00191082
  eigenvalues    EBANDS =       -34.93235208
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880296 eV

  energy without entropy =      -13.89071378  energy(sigma->0) =      -13.88943990
  exchange ACFDT corr.  =        -0.00171296  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4223
    SETDIJ:  cpu time      0.7687: real time      0.7701
    TRIAL :  cpu time    256.1839: real time    257.1737
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.4834: real time    258.4764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3448452E-04  (-0.1885630E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -717.00448678
  -exchange      EXHF   =        33.38307858
  -V(xc)+E(xc)   XCENC  =       -83.51722885
  PAW double counting   =    101660.59252501  -101559.64205445
  entropy T*S    EENTRO =         0.00190510
  eigenvalues    EBANDS =       -34.92319196
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88876847 eV

  energy without entropy =      -13.89067357  energy(sigma->0) =      -13.88940351
  exchange ACFDT corr.  =        -0.00170885  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4218: real time      0.4232
    SETDIJ:  cpu time      0.7698: real time      0.7712
    TRIAL :  cpu time    255.5328: real time    256.5324
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    256.8348: real time    257.8376

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5842699E-04  (-0.7503194E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.99720815
  -exchange      EXHF   =        33.38304154
  -V(xc)+E(xc)   XCENC  =       -83.51723857
  PAW double counting   =    101660.77336096  -101559.82288429
  entropy T*S    EENTRO =         0.00190565
  eigenvalues    EBANDS =       -34.93048264
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882690 eV

  energy without entropy =      -13.89073255  energy(sigma->0) =      -13.88946212
  exchange ACFDT corr.  =        -0.00171209  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7690: real time      0.7704
    TRIAL :  cpu time    255.3051: real time    256.3045
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    256.6052: real time    257.6078

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6082304E-05  (-0.1970237E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.99781404
  -exchange      EXHF   =        33.38304626
  -V(xc)+E(xc)   XCENC  =       -83.51723745
  PAW double counting   =    101660.79903244  -101559.84855619
  entropy T*S    EENTRO =         0.00190815
  eigenvalues    EBANDS =       -34.92988881
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883298 eV

  energy without entropy =      -13.89074113  energy(sigma->0) =      -13.88946903
  exchange ACFDT corr.  =        -0.00171184  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7698: real time      0.7712
    TRIAL :  cpu time    256.3474: real time    257.3217
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    257.6480: real time    258.6256

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5694847E-05  (-0.2698757E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -717.00100813
  -exchange      EXHF   =        33.38306377
  -V(xc)+E(xc)   XCENC  =       -83.51723314
  PAW double counting   =    101660.77588204  -101559.82541518
  entropy T*S    EENTRO =         0.00190596
  eigenvalues    EBANDS =       -34.92670395
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882729 eV

  energy without entropy =      -13.89073325  energy(sigma->0) =      -13.88946261
  exchange ACFDT corr.  =        -0.00171039  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4224
    SETDIJ:  cpu time      0.7696: real time      0.7710
    TRIAL :  cpu time    256.1762: real time    257.1748
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    257.0087: real time    258.0156
    CHARGE:  cpu time      0.1074: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    514.4854: real time    516.4942

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7889028E-05  (-0.1634125E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63929491
  -Hartree energ DENC   =      -716.99841668
  -exchange      EXHF   =        33.38305282
  -V(xc)+E(xc)   XCENC  =       -83.51723640
  PAW double counting   =    101660.81580291  -101559.86532706
  entropy T*S    EENTRO =         0.00190626
  eigenvalues    EBANDS =       -34.92929344
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883518 eV

  energy without entropy =      -13.89074144  energy(sigma->0) =      -13.88947060
  exchange ACFDT corr.  =        -0.00171165  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0404


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8146       2 -69.7061       3 -69.7540       4 -69.7049       5 -69.8250
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2406982836

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0257      0.00000
     16      16.0317      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1457      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2729      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2745      0.00000
     16      12.6248      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6851      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.8642      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6786      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.4804      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.5192      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5153      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5708      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5363      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5535      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4107      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4492      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3156      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3153      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4063      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8333      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8331      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8336      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4671     -0.00000
     16       8.8337      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2945     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3142     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2794     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3262     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6438     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6402     -0.00000
 Fermi energy:         3.2406982836

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0222      0.00000
     15      16.0273      0.00000
     16      16.0371      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1389      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1385      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2730      0.00000
     16      12.6226      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9599     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6676      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.7516      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.9078      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.4802      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2620      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4943      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5462      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5553      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5484      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5343      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84766
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4150      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7398     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4091      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3152      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4102      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4097      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4666     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4666     -0.00000
     16       8.8335      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8367      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2765     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2770     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3384     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2960     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75112
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2781     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02282
     10       3.4279     -0.01673
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8885     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6409     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6380     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6383     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.089   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.089  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0010
    FORHF :  cpu time    201.8679: real time    202.6330
    FORNL :  cpu time      0.0784: real time      0.0787
    FORCOR:  cpu time      1.1881: real time      1.1908
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.252E-06 0.362E-05 0.184E+03   0.505E-13 0.260E-13 -.183E+03   -.267E-07 -.448E-05 -.122E+01
   0.628E-06 -.582E-06 0.928E+02   0.112E-15 0.334E-14 -.929E+02   -.106E-05 0.901E-06 0.191E+00
   -.474E-05 0.488E-06 -.511E+00   -.147E-12 -.829E-13 0.522E+00   0.610E-05 -.708E-06 -.107E-01
   0.307E-06 -.771E-06 -.940E+02   0.142E-12 0.806E-13 0.939E+02   -.163E-06 0.137E-05 0.570E-01
   -.231E-05 0.401E-05 -.183E+03   -.421E-13 -.236E-13 0.182E+03   0.230E-05 -.491E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.634E-05 0.737E-05 0.170E-01   0.439E-14 0.346E-14 0.568E-13   0.715E-05 -.783E-05 -.710E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.092032
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.098141
      1.42873      0.82488      4.62969         0.000001     -0.000000     -0.001556
      2.85746      1.64976      6.92510        -0.000000      0.000001      0.003489
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.008042
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001      0.010029


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883518 eV

  energy  without entropy=      -13.89074144  energy(sigma->0) =      -13.88947060
 
 d Force = 0.5842723E-07[-0.100E-06, 0.217E-06]  d Energy = 0.3465672E-06-0.288E-06
 d Force =-0.5484674E-02[-0.548E-02,-0.548E-02]  d Ewald  =-0.5484674E-02 0.341E-12


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


    POTLOK:  cpu time      1.1897: real time      1.1925


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




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


    WAVPRE:  cpu time      0.0033: real time      0.5548
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0571: real time      0.0573
    POTLOK:  cpu time      1.1926: real time      1.1954
    EDDIAG:  cpu time    258.1154: real time    259.1339
    CHARGE:  cpu time      0.1076: real time      0.1080
 writing wavefunctions
     LOOP+:  cpu time   3035.5603: real time   3048.1934


--------------------------------------- Iteration     26(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4186: real time      0.4200
    SETDIJ:  cpu time      0.7696: real time      0.7710
    TRIAL :  cpu time    255.7898: real time    256.7722
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    257.0897: real time    258.1774

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2930816E-03  (-0.1372110E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -717.00673459
  -exchange      EXHF   =        33.38310722
  -V(xc)+E(xc)   XCENC  =       -83.51722166
  PAW double counting   =    101660.49338648  -101559.54291264
  entropy T*S    EENTRO =         0.00189516
  eigenvalues    EBANDS =       -34.91801033
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88853421 eV

  energy without entropy =      -13.89042937  energy(sigma->0) =      -13.88916593
  exchange ACFDT corr.  =        -0.00170654  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4226
    SETDIJ:  cpu time      0.7702: real time      0.7716
    TRIAL :  cpu time    255.5889: real time    256.5177
    CORREC:  cpu time      0.0020: real time      0.0021
    CHARGE:  cpu time      0.1080: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.8907: real time    257.8227

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1872487E-03  (-0.1314516E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.98298168
  -exchange      EXHF   =        33.38297873
  -V(xc)+E(xc)   XCENC  =       -83.51725333
  PAW double counting   =    101660.96250323  -101560.01202502
  entropy T*S    EENTRO =         0.00190959
  eigenvalues    EBANDS =       -34.94140086
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88834696 eV

  energy without entropy =      -13.89025655  energy(sigma->0) =      -13.88898349
  exchange ACFDT corr.  =        -0.00171766  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7681: real time      0.7696
    TRIAL :  cpu time    255.6954: real time    256.6403
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    256.9947: real time    257.9428

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4321312E-03  (-0.2717744E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -717.00133715
  -exchange      EXHF   =        33.38307754
  -V(xc)+E(xc)   XCENC  =       -83.51722906
  PAW double counting   =    101660.65783620  -101559.70736831
  entropy T*S    EENTRO =         0.00190872
  eigenvalues    EBANDS =       -34.92360471
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877909 eV

  energy without entropy =      -13.89068781  energy(sigma->0) =      -13.88941533
  exchange ACFDT corr.  =        -0.00170936  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7701: real time      0.7715
    TRIAL :  cpu time    256.7080: real time    257.6827
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    258.0088: real time    258.9868

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2393411E-04  (-0.1636732E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -717.00035362
  -exchange      EXHF   =        33.38307162
  -V(xc)+E(xc)   XCENC  =       -83.51723061
  PAW double counting   =    101660.65787443  -101559.70740799
  entropy T*S    EENTRO =         0.00190174
  eigenvalues    EBANDS =       -34.92460238
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880302 eV

  energy without entropy =      -13.89070476  energy(sigma->0) =      -13.88943694
  exchange ACFDT corr.  =        -0.00170979  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    255.5580: real time    256.5232
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1080: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.8598: real time    257.8282

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3513796E-04  (-0.1907623E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.99150006
  -exchange      EXHF   =        33.38302269
  -V(xc)+E(xc)   XCENC  =       -83.51724238
  PAW double counting   =    101660.78699700  -101559.83652533
  entropy T*S    EENTRO =         0.00190738
  eigenvalues    EBANDS =       -34.93335833
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88876789 eV

  energy without entropy =      -13.89067527  energy(sigma->0) =      -13.88940368
  exchange ACFDT corr.  =        -0.00171389  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7706: real time      0.7719
    TRIAL :  cpu time    255.0594: real time    256.0220
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.3601: real time    257.3258

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5864838E-04  (-0.8226475E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.99855183
  -exchange      EXHF   =        33.38306009
  -V(xc)+E(xc)   XCENC  =       -83.51723376
  PAW double counting   =    101660.62925944  -101559.67879212
  entropy T*S    EENTRO =         0.00190671
  eigenvalues    EBANDS =       -34.92641252
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882653 eV

  energy without entropy =      -13.89073324  energy(sigma->0) =      -13.88946210
  exchange ACFDT corr.  =        -0.00171063  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7692: real time      0.7706
    TRIAL :  cpu time    256.0603: real time    257.0509
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.3594: real time    258.3532

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6574616E-05  (-0.1920283E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.99765876
  -exchange      EXHF   =        33.38305460
  -V(xc)+E(xc)   XCENC  =       -83.51723524
  PAW double counting   =    101660.60321398  -101559.65274209
  entropy T*S    EENTRO =         0.00190419
  eigenvalues    EBANDS =       -34.92730910
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883311 eV

  energy without entropy =      -13.89073730  energy(sigma->0) =      -13.88946784
  exchange ACFDT corr.  =        -0.00171102  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7698: real time      0.7711
    TRIAL :  cpu time    255.4522: real time    256.4554
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.7532: real time    257.7596

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5921381E-05  (-0.2741457E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.99448629
  -exchange      EXHF   =        33.38303701
  -V(xc)+E(xc)   XCENC  =       -83.51723945
  PAW double counting   =    101660.63826091  -101559.68778409
  entropy T*S    EENTRO =         0.00190636
  eigenvalues    EBANDS =       -34.93045626
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882719 eV

  energy without entropy =      -13.89073354  energy(sigma->0) =      -13.88946264
  exchange ACFDT corr.  =        -0.00171247  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     26(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7692: real time      0.7705
    TRIAL :  cpu time    256.4075: real time    257.3689
    CORREC:  cpu time      0.0021: real time      0.0021
    EDDIAG:  cpu time    256.2492: real time    257.2317
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    513.9565: real time    515.9037

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7855036E-05  (-0.1883249E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63655255
  -Hartree energ DENC   =      -716.99729706
  -exchange      EXHF   =        33.38305035
  -V(xc)+E(xc)   XCENC  =       -83.51723590
  PAW double counting   =    101660.60198782  -101559.65151403
  entropy T*S    EENTRO =         0.00190597
  eigenvalues    EBANDS =       -34.92767149
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883504 eV

  energy without entropy =      -13.89074101  energy(sigma->0) =      -13.88947036
  exchange ACFDT corr.  =        -0.00171123  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1117


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7960       2 -69.6925       3 -69.7537       4 -69.7182       5 -69.8436
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407149902

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9218      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0214      0.00000
     15      16.0269      0.00000
     16      16.0333      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1394      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1449      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6268      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2741      0.00000
     16      12.6249      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6768      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8571      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6717      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4767      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5191      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5148      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5710      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5364      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5513      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84766
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84766
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4100      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4307      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4077      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3147      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4058      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8333      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8331      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8335      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4668     -0.00000
     16       8.8335      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2924     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3103     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2787     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3216     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8884     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6380     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6429     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6397     -0.00000
 Fermi energy:         3.2407149902

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9218      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0222      0.00000
     15      16.0266      0.00000
     16      16.0378      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1398      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0529      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1394      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2729      0.00000
     16      12.6228      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3328      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00054
      8       4.9970     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1827     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6636      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7324      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.9049      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4765      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9942      0.00000
     16      10.2607      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7141      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1923      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4919      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5445      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5554      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1789      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5334      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2378      1.00000
      7       3.4708     -0.03452
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6230      1.00000
      7       3.1490      0.84766
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4120      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4089      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3143      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4085      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4078      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8335      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8362      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8317      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5824     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2762     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2764     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3334     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2936     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75113
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2775     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8882     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2263      1.00000
      3      -1.8444      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1929      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6404     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6380     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7306      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3154      1.00000
     10       2.5776      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6385     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0010
    FORHF :  cpu time    200.9223: real time    201.6812
    FORNL :  cpu time      0.0784: real time      0.0786
    FORCOR:  cpu time      1.1878: real time      1.1906
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.473E-06 0.513E-05 0.184E+03   0.505E-13 0.259E-13 -.183E+03   -.105E-05 -.650E-05 -.122E+01
   0.984E-06 0.716E-06 0.928E+02   0.470E-14 0.558E-14 -.929E+02   -.196E-05 -.619E-06 0.191E+00
   -.374E-05 0.451E-06 -.520E+00   -.155E-12 -.897E-13 0.522E+00   0.515E-05 -.678E-06 -.106E-01
   0.174E-05 0.328E-06 -.940E+02   0.146E-12 0.813E-13 0.939E+02   -.214E-05 0.108E-06 0.573E-01
   -.153E-05 0.523E-05 -.183E+03   -.419E-13 -.197E-13 0.182E+03   0.121E-05 -.663E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.139E-05 0.130E-04 -.430E-02   0.439E-14 0.346E-14 0.568E-13   0.121E-05 -.143E-04 -.564E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.087008
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.095893
      1.42873      0.82488      4.62971         0.000001      0.000000     -0.006675
      2.85746      1.64976      6.92513        -0.000001      0.000001      0.000797
      0.00000      0.00000      9.30417         0.000000     -0.000001     -0.003008
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000002     -0.009755


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883504 eV

  energy  without entropy=      -13.89074101  energy(sigma->0) =      -13.88947036
 
 d Force =-0.2611283E-07[-0.102E-06, 0.502E-07]  d Energy =-0.1352851E-06 0.109E-06
 d Force = 0.2742353E-02[ 0.274E-02, 0.274E-02]  d Ewald  = 0.2742353E-02-0.171E-12


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


    POTLOK:  cpu time      1.1898: real time      1.1926


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0657
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0570: real time      0.0572
    POTLOK:  cpu time      1.1899: real time      1.1927
    EDDIAG:  cpu time    257.6719: real time    258.6800
    CHARGE:  cpu time      0.1070: real time      0.1074
 writing wavefunctions
     LOOP+:  cpu time   3033.2631: real time   3045.1755


--------------------------------------- Iteration     27(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4181: real time      0.4195
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    256.4806: real time    257.4162
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.7811: real time    258.8380

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2645376E-03  (-0.1243493E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007637 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.98831387
  -exchange      EXHF   =        33.38299819
  -V(xc)+E(xc)   XCENC  =       -83.51724786
  PAW double counting   =    101660.82852725  -101559.87805202
  entropy T*S    EENTRO =         0.00191684
  eigenvalues    EBANDS =       -34.93814959
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88856265 eV

  energy without entropy =      -13.89047949  energy(sigma->0) =      -13.88920159
  exchange ACFDT corr.  =        -0.00171614  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4217: real time      0.4231
    SETDIJ:  cpu time      0.7660: real time      0.7675
    TRIAL :  cpu time    255.7108: real time    256.6916
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    257.0087: real time    257.9928

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1691032E-03  (-0.1189024E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -717.01203877
  -exchange      EXHF   =        33.38312458
  -V(xc)+E(xc)   XCENC  =       -83.51721541
  PAW double counting   =    101660.37219171  -101559.42171504
  entropy T*S    EENTRO =         0.00190254
  eigenvalues    EBANDS =       -34.91443468
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88839355 eV

  energy without entropy =      -13.89029608  energy(sigma->0) =      -13.88902772
  exchange ACFDT corr.  =        -0.00170528  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7713: real time      0.7726
    TRIAL :  cpu time    256.3519: real time    257.2998
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.6542: real time    258.6054

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3911993E-03  (-0.2413242E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.99352830
  -exchange      EXHF   =        33.38302649
  -V(xc)+E(xc)   XCENC  =       -83.51724205
  PAW double counting   =    101660.84374371  -101559.89326939
  entropy T*S    EENTRO =         0.00190347
  eigenvalues    EBANDS =       -34.93319497
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878475 eV

  energy without entropy =      -13.89068821  energy(sigma->0) =      -13.88941923
  exchange ACFDT corr.  =        -0.00171349  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    255.5360: real time    256.5074
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    256.8376: real time    257.8121

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2129400E-04  (-0.1488192E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.99476991
  -exchange      EXHF   =        33.38303235
  -V(xc)+E(xc)   XCENC  =       -83.51724070
  PAW double counting   =    101660.87452158  -101559.92404537
  entropy T*S    EENTRO =         0.00191024
  eigenvalues    EBANDS =       -34.93198468
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880604 eV

  energy without entropy =      -13.89071628  energy(sigma->0) =      -13.88944279
  exchange ACFDT corr.  =        -0.00171302  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7705: real time      0.7719
    TRIAL :  cpu time    256.4187: real time    257.3999
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    257.7199: real time    258.7043

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3141646E-04  (-0.1716763E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -717.00340072
  -exchange      EXHF   =        33.38307753
  -V(xc)+E(xc)   XCENC  =       -83.51722916
  PAW double counting   =    101660.75195604  -101559.80148647
  entropy T*S    EENTRO =         0.00190480
  eigenvalues    EBANDS =       -34.92337929
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877462 eV

  energy without entropy =      -13.89067942  energy(sigma->0) =      -13.88940956
  exchange ACFDT corr.  =        -0.00170911  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7720: real time      0.7736
    TRIAL :  cpu time    256.1292: real time    257.0978
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    257.4317: real time    258.4037

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5312738E-04  (-0.6916979E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.99643909
  -exchange      EXHF   =        33.38304135
  -V(xc)+E(xc)   XCENC  =       -83.51723851
  PAW double counting   =    101660.89271960  -101559.94224324
  entropy T*S    EENTRO =         0.00190535
  eigenvalues    EBANDS =       -34.93034988
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882775 eV

  energy without entropy =      -13.89073311  energy(sigma->0) =      -13.88946287
  exchange ACFDT corr.  =        -0.00171219  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7714: real time      0.7728
    TRIAL :  cpu time    255.7514: real time    256.7097
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.0536: real time    258.0151

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5595662E-05  (-0.1783717E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.99704417
  -exchange      EXHF   =        33.38304528
  -V(xc)+E(xc)   XCENC  =       -83.51723764
  PAW double counting   =    101660.89598632  -101559.94551029
  entropy T*S    EENTRO =         0.00190774
  eigenvalues    EBANDS =       -34.92975542
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883335 eV

  energy without entropy =      -13.89074109  energy(sigma->0) =      -13.88946926
  exchange ACFDT corr.  =        -0.00171194  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7697: real time      0.7711
    TRIAL :  cpu time    256.2508: real time    257.2250
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.5520: real time    258.5295

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5204063E-05  (-0.2457594E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -717.00006086
  -exchange      EXHF   =        33.38306150
  -V(xc)+E(xc)   XCENC  =       -83.51723376
  PAW double counting   =    101660.86089886  -101559.91043131
  entropy T*S    EENTRO =         0.00190566
  eigenvalues    EBANDS =       -34.92674753
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882814 eV

  energy without entropy =      -13.89073380  energy(sigma->0) =      -13.88946336
  exchange ACFDT corr.  =        -0.00171056  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     27(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7702: real time      0.7716
    TRIAL :  cpu time    256.2681: real time    257.2267
    CORREC:  cpu time      0.0022: real time      0.0023
    EDDIAG:  cpu time    256.4046: real time    257.3605
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    513.9735: real time    515.8911

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7164188E-05  (-0.1513764E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63839297
  -Hartree energ DENC   =      -716.99753765
  -exchange      EXHF   =        33.38305081
  -V(xc)+E(xc)   XCENC  =       -83.51723689
  PAW double counting   =    101660.88890341  -101559.93842762
  entropy T*S    EENTRO =         0.00190595
  eigenvalues    EBANDS =       -34.92926790
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883531 eV

  energy without entropy =      -13.89074125  energy(sigma->0) =      -13.88947062
  exchange ACFDT corr.  =        -0.00171176  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0570


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8142       2 -69.7058       3 -69.7540       4 -69.7051       5 -69.8254
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407056095

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0256      0.00000
     16      16.0316      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1427      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2739      0.00000
     16      12.6247      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6688      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8459      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6650      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4725      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.5191      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5143      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5677      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5356      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5512      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4093      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4217      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3154      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3152      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4061      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8331      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8333      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4668     -0.00000
     16       8.8332      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2904     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3067     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2781     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3169     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6423     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6396     -0.00000
 Fermi energy:         3.2407056095

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0219      0.00000
     15      16.0264      0.00000
     16      16.0344      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1387      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2729      0.00000
     16      12.6225      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6595      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7140      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9713      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.9011      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.4722      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2584      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4891      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5447      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5532      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5341      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4111      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4084      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4080      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4078      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8332      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8352      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2761     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2762     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3290     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2916     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2768     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6401     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6382     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.089   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.089  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.1430: real time    202.8660
    FORNL :  cpu time      0.0792: real time      0.0794
    FORCOR:  cpu time      1.1879: real time      1.1907
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.209E-06 0.359E-05 0.184E+03   0.504E-13 0.262E-13 -.183E+03   -.598E-06 -.446E-05 -.122E+01
   0.573E-06 -.276E-06 0.928E+02   0.270E-14 0.521E-14 -.929E+02   -.971E-06 0.554E-06 0.191E+00
   -.429E-05 0.626E-06 -.511E+00   -.148E-12 -.850E-13 0.522E+00   0.548E-05 -.928E-06 -.107E-01
   0.253E-06 -.302E-06 -.940E+02   0.139E-12 0.799E-13 0.939E+02   -.148E-06 0.835E-06 0.570E-01
   -.152E-05 0.403E-05 -.183E+03   -.396E-13 -.227E-13 0.182E+03   0.140E-05 -.492E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.471E-05 0.829E-05 0.164E-01   0.439E-14 0.346E-14 -.568E-13   0.516E-05 -.892E-05 -.714E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.091898
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.098108
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.001709
      2.85746      1.64976      6.92511        -0.000000      0.000001      0.003373
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.007875
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001      0.009436


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883531 eV

  energy  without entropy=      -13.89074125  energy(sigma->0) =      -13.88947062
 
 d Force = 0.1935058E-07[-0.300E-07, 0.687E-07]  d Energy = 0.2641732E-06-0.245E-06
 d Force =-0.1840418E-02[-0.184E-02,-0.184E-02]  d Ewald  =-0.1840418E-02 0.119E-11


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


    POTLOK:  cpu time      1.1910: real time      1.1937


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0601
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1919: real time      1.1947
    EDDIAG:  cpu time    258.0684: real time    259.0799
    CHARGE:  cpu time      0.1075: real time      0.1079
 writing wavefunctions
     LOOP+:  cpu time   3037.6324: real time   3049.5217


--------------------------------------- Iteration     28(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4187: real time      0.4200
    SETDIJ:  cpu time      0.7691: real time      0.7705
    TRIAL :  cpu time    256.5364: real time    257.5063
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    257.8356: real time    258.9379

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2632955E-03  (-0.1233265E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -717.00748278
  -exchange      EXHF   =        33.38310631
  -V(xc)+E(xc)   XCENC  =       -83.51722132
  PAW double counting   =    101660.61685071  -101559.66637655
  entropy T*S    EENTRO =         0.00189600
  eigenvalues    EBANDS =       -34.91821261
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88856485 eV

  energy without entropy =      -13.89046084  energy(sigma->0) =      -13.88919685
  exchange ACFDT corr.  =        -0.00170666  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    255.9324: real time    256.8882
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1075: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.2328: real time    258.1919

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1683622E-03  (-0.1181711E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.98462647
  -exchange      EXHF   =        33.38298347
  -V(xc)+E(xc)   XCENC  =       -83.51725212
  PAW double counting   =    101661.05916679  -101560.10868834
  entropy T*S    EENTRO =         0.00190969
  eigenvalues    EBANDS =       -34.94073283
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88839648 eV

  energy without entropy =      -13.89030617  energy(sigma->0) =      -13.88903305
  exchange ACFDT corr.  =        -0.00171722  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4246: real time      0.4259
    SETDIJ:  cpu time      0.7712: real time      0.7726
    TRIAL :  cpu time    256.3567: real time    257.2963
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    257.6626: real time    258.6055

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3884171E-03  (-0.2450089E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -717.00190188
  -exchange      EXHF   =        33.38307662
  -V(xc)+E(xc)   XCENC  =       -83.51722945
  PAW double counting   =    101660.76190513  -101559.81143792
  entropy T*S    EENTRO =         0.00190887
  eigenvalues    EBANDS =       -34.92396410
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878490 eV

  energy without entropy =      -13.89069377  energy(sigma->0) =      -13.88942119
  exchange ACFDT corr.  =        -0.00170936  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4216: real time      0.4230
    SETDIJ:  cpu time      0.7702: real time      0.7717
    TRIAL :  cpu time    255.5882: real time    256.5349
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.8905: real time    257.8404

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2157016E-04  (-0.1470403E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -717.00097290
  -exchange      EXHF   =        33.38307114
  -V(xc)+E(xc)   XCENC  =       -83.51723093
  PAW double counting   =    101660.75184310  -101559.80137698
  entropy T*S    EENTRO =         0.00190225
  eigenvalues    EBANDS =       -34.92490578
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880647 eV

  energy without entropy =      -13.89070872  energy(sigma->0) =      -13.88944056
  exchange ACFDT corr.  =        -0.00170983  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7694: real time      0.7708
    TRIAL :  cpu time    255.5266: real time    256.4766
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.8263: real time    257.7795

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3159883E-04  (-0.1714538E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.99262595
  -exchange      EXHF   =        33.38302530
  -V(xc)+E(xc)   XCENC  =       -83.51724204
  PAW double counting   =    101660.86081582  -101559.91034388
  entropy T*S    EENTRO =         0.00190760
  eigenvalues    EBANDS =       -34.93316338
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88877487 eV

  energy without entropy =      -13.89068247  energy(sigma->0) =      -13.88941074
  exchange ACFDT corr.  =        -0.00171365  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7678: real time      0.7691
    TRIAL :  cpu time    256.7368: real time    257.6946
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    258.0352: real time    258.9961

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5270965E-04  (-0.7396157E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.99933639
  -exchange      EXHF   =        33.38306119
  -V(xc)+E(xc)   XCENC  =       -83.51723364
  PAW double counting   =    101660.70011177  -101559.74964423
  entropy T*S    EENTRO =         0.00190695
  eigenvalues    EBANDS =       -34.92655088
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882758 eV

  energy without entropy =      -13.89073454  energy(sigma->0) =      -13.88946323
  exchange ACFDT corr.  =        -0.00171056  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7689: real time      0.7702
    TRIAL :  cpu time    255.4184: real time    256.3663
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    256.7181: real time    257.6691

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5910770E-05  (-0.1725960E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.99848547
  -exchange      EXHF   =        33.38305632
  -V(xc)+E(xc)   XCENC  =       -83.51723494
  PAW double counting   =    101660.66722777  -101559.71675594
  entropy T*S    EENTRO =         0.00190456
  eigenvalues    EBANDS =       -34.92740519
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883349 eV

  energy without entropy =      -13.89073806  energy(sigma->0) =      -13.88946835
  exchange ACFDT corr.  =        -0.00171094  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4225
    SETDIJ:  cpu time      0.7704: real time      0.7717
    TRIAL :  cpu time    255.3407: real time    256.3304
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1082: real time      0.1086
    --------------------------------------------
      LOOP:  cpu time    256.6428: real time    257.6357

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5323223E-05  (-0.2464466E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.99548806
  -exchange      EXHF   =        33.38303987
  -V(xc)+E(xc)   XCENC  =       -83.51723892
  PAW double counting   =    101660.69569669  -101559.74522007
  entropy T*S    EENTRO =         0.00190662
  eigenvalues    EBANDS =       -34.93037925
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882817 eV

  energy without entropy =      -13.89073479  energy(sigma->0) =      -13.88946371
  exchange ACFDT corr.  =        -0.00171232  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     28(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4224: real time      0.4238
    SETDIJ:  cpu time      0.7695: real time      0.7709
    TRIAL :  cpu time    255.9913: real time    256.9943
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    256.1654: real time    257.1505
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    513.4591: real time    515.4504

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7060325E-05  (-0.1695152E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63747276
  -Hartree energ DENC   =      -716.99817670
  -exchange      EXHF   =        33.38305254
  -V(xc)+E(xc)   XCENC  =       -83.51723545
  PAW double counting   =    101660.65800362  -101559.70752996
  entropy T*S    EENTRO =         0.00190625
  eigenvalues    EBANDS =       -34.92771494
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883523 eV

  energy without entropy =      -13.89074148  energy(sigma->0) =      -13.88947065
  exchange ACFDT corr.  =        -0.00171114  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1168


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7965       2 -69.6928       3 -69.7537       4 -69.7178       5 -69.8432
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407088948

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0214      0.00000
     15      16.0267      0.00000
     16      16.0331      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1426      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6268      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2736      0.00000
     16      12.6248      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6644      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8335      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6622      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4681      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5190      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9942      0.00000
     16      10.5138      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5680      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5357      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5491      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4090      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4156      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3146      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8331      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8329      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8332      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4666     -0.00000
     16       8.8331      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2887     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3034     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2776     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3129     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6380     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6417     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6392     -0.00000
 Fermi energy:         3.2407088948

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0219      0.00000
     15      16.0257      0.00000
     16      16.0357      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1395      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6742      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6226      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5822      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6580      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6998      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9543      1.00000
      2      -5.9714      1.00000
      3      -4.5819      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1593      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8975      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4678      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9942      0.00000
     16      10.2586      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9839      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4862      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5431      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9462      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5532      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8319      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5211      0.00000
     15      11.6818      0.00000
     16      12.5332      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1879      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4095      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4083      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6984      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4070      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9474      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8332      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8350      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2062      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2759     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2757     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3245     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2897     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6194     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2764     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4267     -0.01673
     11       4.2055     -0.00000
     12       5.3081     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6397     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6380     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6383     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.7204: real time    202.4516
    FORNL :  cpu time      0.0792: real time      0.0794
    FORCOR:  cpu time      1.1883: real time      1.1910
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.644E-06 0.459E-05 0.184E+03   0.506E-13 0.260E-13 -.183E+03   -.120E-05 -.577E-05 -.122E+01
   0.816E-06 0.568E-06 0.928E+02   0.313E-14 0.597E-14 -.929E+02   -.168E-05 -.441E-06 0.191E+00
   -.295E-05 0.518E-06 -.520E+00   -.151E-12 -.847E-13 0.522E+00   0.413E-05 -.764E-06 -.106E-01
   0.140E-05 0.320E-06 -.940E+02   0.142E-12 0.840E-13 0.939E+02   -.175E-05 0.103E-06 0.573E-01
   -.937E-06 0.479E-05 -.183E+03   -.396E-13 -.278E-13 0.182E+03   0.618E-06 -.598E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.302E-06 0.118E-04 -.375E-02   0.439E-14 0.346E-14 0.568E-13   0.119E-06 -.129E-04 -.566E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.087134
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.095931
      1.42873      0.82488      4.62970         0.000001      0.000000     -0.006534
      2.85746      1.64976      6.92512        -0.000001      0.000001      0.000895
      0.00000      0.00000      9.30417         0.000000     -0.000001     -0.003158
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000001     -0.009233


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883523 eV

  energy  without entropy=      -13.89074148  energy(sigma->0) =      -13.88947065
 
 d Force =-0.8867181E-08[-0.328E-07, 0.150E-07]  d Energy =-0.7591080E-07 0.670E-07
 d Force = 0.9202109E-03[ 0.920E-03, 0.920E-03]  d Ewald  = 0.9202109E-03-0.568E-13


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


    POTLOK:  cpu time      1.1886: real time      1.1912


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0544
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1909: real time      1.1936
    EDDIAG:  cpu time    257.9779: real time    258.9574
    CHARGE:  cpu time      0.1071: real time      0.1075
 writing wavefunctions
     LOOP+:  cpu time   3035.4013: real time   3047.2498


--------------------------------------- Iteration     29(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4185: real time      0.4199
    SETDIJ:  cpu time      0.7674: real time      0.7688
    TRIAL :  cpu time    256.6015: real time    257.5589
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.8994: real time    258.9770

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2376118E-03  (-0.1116892E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007637 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.98834257
  -exchange      EXHF   =        33.38300060
  -V(xc)+E(xc)   XCENC  =       -83.51724754
  PAW double counting   =    101660.84894846  -101559.89847313
  entropy T*S    EENTRO =         0.00191615
  eigenvalues    EBANDS =       -34.93786265
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88859056 eV

  energy without entropy =      -13.89050671  energy(sigma->0) =      -13.88922927
  exchange ACFDT corr.  =        -0.00171597  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7696: real time      0.7709
    TRIAL :  cpu time    256.2442: real time    257.1958
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1082: real time      0.1086
    --------------------------------------------
      LOOP:  cpu time    257.5457: real time    258.5003

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1519144E-03  (-0.1068138E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0007640 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -717.01096725
  -exchange      EXHF   =        33.38312076
  -V(xc)+E(xc)   XCENC  =       -83.51721670
  PAW double counting   =    101660.41108374  -101559.46060896
  entropy T*S    EENTRO =         0.00190261
  eigenvalues    EBANDS =       -34.91525431
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88843864 eV

  energy without entropy =      -13.89034125  energy(sigma->0) =      -13.88907285
  exchange ACFDT corr.  =        -0.00170567  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7688: real time      0.7701
    TRIAL :  cpu time    255.7818: real time    256.7390
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1081: real time      0.1085
    --------------------------------------------
      LOOP:  cpu time    257.0827: real time    258.0430

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3513707E-03  (-0.2174065E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99355051
  -exchange      EXHF   =        33.38302838
  -V(xc)+E(xc)   XCENC  =       -83.51724166
  PAW double counting   =    101660.84260046  -101559.89212566
  entropy T*S    EENTRO =         0.00190348
  eigenvalues    EBANDS =       -34.93289157
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879001 eV

  energy without entropy =      -13.89069350  energy(sigma->0) =      -13.88942451
  exchange ACFDT corr.  =        -0.00171343  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    255.6773: real time    256.6291
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.9765: real time    257.9315

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1917717E-04  (-0.1335993E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99472179
  -exchange      EXHF   =        33.38303384
  -V(xc)+E(xc)   XCENC  =       -83.51724032
  PAW double counting   =    101660.86791945  -101559.91744321
  entropy T*S    EENTRO =         0.00190990
  eigenvalues    EBANDS =       -34.93174859
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880919 eV

  energy without entropy =      -13.89071909  energy(sigma->0) =      -13.88944582
  exchange ACFDT corr.  =        -0.00171299  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7711: real time      0.7725
    TRIAL :  cpu time    255.8682: real time    256.8200
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1079: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.1710: real time    258.1260

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2824600E-04  (-0.1542681E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -717.00286575
  -exchange      EXHF   =        33.38307631
  -V(xc)+E(xc)   XCENC  =       -83.51722955
  PAW double counting   =    101660.75095797  -101559.80048947
  entropy T*S    EENTRO =         0.00190475
  eigenvalues    EBANDS =       -34.92362829
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878095 eV

  energy without entropy =      -13.89068569  energy(sigma->0) =      -13.88941586
  exchange ACFDT corr.  =        -0.00170928  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    255.9638: real time    256.9156
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    257.2645: real time    258.2194

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4770607E-04  (-0.6258035E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99626349
  -exchange      EXHF   =        33.38304177
  -V(xc)+E(xc)   XCENC  =       -83.51723839
  PAW double counting   =    101660.87592759  -101559.92545134
  entropy T*S    EENTRO =         0.00190528
  eigenvalues    EBANDS =       -34.93023747
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882865 eV

  energy without entropy =      -13.89073393  energy(sigma->0) =      -13.88946375
  exchange ACFDT corr.  =        -0.00171220  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7720: real time      0.7736
    TRIAL :  cpu time    255.7368: real time    256.6925
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    257.0406: real time    257.9998

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5056800E-05  (-0.1598066E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99684345
  -exchange      EXHF   =        33.38304531
  -V(xc)+E(xc)   XCENC  =       -83.51723764
  PAW double counting   =    101660.87673725  -101559.92626129
  entropy T*S    EENTRO =         0.00190755
  eigenvalues    EBANDS =       -34.92966710
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883371 eV

  energy without entropy =      -13.89074126  energy(sigma->0) =      -13.88946956
  exchange ACFDT corr.  =        -0.00171195  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4214: real time      0.4228
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    255.3769: real time    256.4060
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    256.6772: real time    257.7094

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4684439E-05  (-0.2208412E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99969044
  -exchange      EXHF   =        33.38306052
  -V(xc)+E(xc)   XCENC  =       -83.51723403
  PAW double counting   =    101660.84478775  -101559.89431959
  entropy T*S    EENTRO =         0.00190557
  eigenvalues    EBANDS =       -34.92682873
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882902 eV

  energy without entropy =      -13.89073460  energy(sigma->0) =      -13.88946421
  exchange ACFDT corr.  =        -0.00171065  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     29(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7701: real time      0.7715
    TRIAL :  cpu time    255.9720: real time    256.9685
    CORREC:  cpu time      0.0021: real time      0.0021
    EDDIAG:  cpu time    256.4518: real time    257.4235
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    513.7249: real time    515.6963

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6429005E-05  (-0.1371413E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63810369
  -Hartree energ DENC   =      -716.99728339
  -exchange      EXHF   =        33.38305031
  -V(xc)+E(xc)   XCENC  =       -83.51723701
  PAW double counting   =    101660.87287344  -101559.92239766
  entropy T*S    EENTRO =         0.00190585
  eigenvalues    EBANDS =       -34.92923243
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883545 eV

  energy without entropy =      -13.89074130  energy(sigma->0) =      -13.88947074
  exchange ACFDT corr.  =        -0.00171179  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0598


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8137       2 -69.7055       3 -69.7540       4 -69.7055       5 -69.8259
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407079754

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0256      0.00000
     16      16.0315      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1409      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2735      0.00000
     16      12.6247      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6601      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8192      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6585      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4631      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5189      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5132      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5648      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5351      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5491      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
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     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4085      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4127      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3152      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8331      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4667     -0.00000
     16       8.8330      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2871     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3004     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2772     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3089     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6412     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6392     -0.00000
 Fermi energy:         3.2407079754

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0216      0.00000
     15      16.0256      0.00000
     16      16.0330      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1385      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2729      0.00000
     16      12.6223      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6549      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6868      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8931      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9942      0.00000
     16      10.4628      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2571      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4829      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5433      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5511      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5338      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4093      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4080      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4069      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4069      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8343      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03254
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2758     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2757     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.3204     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2881     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2761     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6395     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6381     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.089   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.089  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.9211: real time    202.6636
    FORNL :  cpu time      0.0784: real time      0.0787
    FORCOR:  cpu time      1.1883: real time      1.1911
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.300E-06 0.336E-05 0.184E+03   0.505E-13 0.261E-13 -.183E+03   -.656E-06 -.421E-05 -.122E+01
   0.282E-06 -.160E-06 0.928E+02   -.590E-15 0.643E-14 -.929E+02   -.660E-06 0.378E-06 0.191E+00
   -.367E-05 0.666E-06 -.511E+00   -.149E-12 -.898E-13 0.522E+00   0.474E-05 -.980E-06 -.107E-01
   -.112E-06 -.958E-07 -.940E+02   0.144E-12 0.809E-13 0.939E+02   0.204E-06 0.559E-06 0.570E-01
   -.110E-05 0.383E-05 -.183E+03   -.414E-13 -.201E-13 0.182E+03   0.100E-05 -.466E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.419E-05 0.824E-05 0.158E-01   0.439E-14 0.346E-14 0.000E+00   0.463E-05 -.891E-05 -.711E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.091763
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.098055
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.001850
      2.85746      1.64976      6.92511        -0.000000      0.000000      0.003290
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.007731
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001      0.008892


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883545 eV

  energy  without entropy=      -13.89074130  energy(sigma->0) =      -13.88947074
 
 d Force = 0.6591940E-08[-0.927E-08, 0.225E-07]  d Energy = 0.2227827E-06-0.216E-06
 d Force =-0.6309303E-03[-0.631E-03,-0.631E-03]  d Ewald  =-0.6309303E-03-0.517E-11


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


    POTLOK:  cpu time      1.1912: real time      1.1940


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0641
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1913: real time      1.1940
    EDDIAG:  cpu time    258.5757: real time    259.5505
    CHARGE:  cpu time      0.1077: real time      0.1081
 writing wavefunctions
     LOOP+:  cpu time   3036.2783: real time   3048.1407


--------------------------------------- Iteration     30(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4192: real time      0.4206
    SETDIJ:  cpu time      0.7667: real time      0.7681
    TRIAL :  cpu time    256.2737: real time    257.2298
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    257.5717: real time    258.5984

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2350654E-03  (-0.1101309E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -717.00733731
  -exchange      EXHF   =        33.38310392
  -V(xc)+E(xc)   XCENC  =       -83.51722172
  PAW double counting   =    101660.63249009  -101559.68201552
  entropy T*S    EENTRO =         0.00189663
  eigenvalues    EBANDS =       -34.91869991
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88859396 eV

  energy without entropy =      -13.89049058  energy(sigma->0) =      -13.88922617
  exchange ACFDT corr.  =        -0.00170688  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4213: real time      0.4227
    SETDIJ:  cpu time      0.7685: real time      0.7698
    TRIAL :  cpu time    255.9968: real time    256.9621
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    257.2970: real time    258.2654

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1504068E-03  (-0.1055485E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.98563641
  -exchange      EXHF   =        33.38298755
  -V(xc)+E(xc)   XCENC  =       -83.51725110
  PAW double counting   =    101661.05118614  -101560.10070770
  entropy T*S    EENTRO =         0.00190958
  eigenvalues    EBANDS =       -34.94009112
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88844355 eV

  energy without entropy =      -13.89035313  energy(sigma->0) =      -13.88908008
  exchange ACFDT corr.  =        -0.00171687  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7699: real time      0.7712
    TRIAL :  cpu time    255.5448: real time    256.5035
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    256.8454: real time    257.8072

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3468688E-03  (-0.2195969E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -717.00195552
  -exchange      EXHF   =        33.38307549
  -V(xc)+E(xc)   XCENC  =       -83.51722984
  PAW double counting   =    101660.76737666  -101559.81691002
  entropy T*S    EENTRO =         0.00190880
  eigenvalues    EBANDS =       -34.92422924
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879042 eV

  energy without entropy =      -13.89069922  energy(sigma->0) =      -13.88942669
  exchange ACFDT corr.  =        -0.00170944  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7673: real time      0.7687
    TRIAL :  cpu time    255.5152: real time    256.4643
    CORREC:  cpu time      0.0021: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.8130: real time    257.7653

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1932545E-04  (-0.1312260E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -717.00105963
  -exchange      EXHF   =        33.38307030
  -V(xc)+E(xc)   XCENC  =       -83.51723125
  PAW double counting   =    101660.75408272  -101559.80361729
  entropy T*S    EENTRO =         0.00190255
  eigenvalues    EBANDS =       -34.92513588
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880975 eV

  energy without entropy =      -13.89071230  energy(sigma->0) =      -13.88944393
  exchange ACFDT corr.  =        -0.00170989  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7671: real time      0.7684
    TRIAL :  cpu time    256.0270: real time    256.9860
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.3248: real time    258.2869

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2824599E-04  (-0.1531469E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.99317242
  -exchange      EXHF   =        33.38302716
  -V(xc)+E(xc)   XCENC  =       -83.51724173
  PAW double counting   =    101660.84812492  -101559.89765260
  entropy T*S    EENTRO =         0.00190761
  eigenvalues    EBANDS =       -34.93294185
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878150 eV

  energy without entropy =      -13.89068911  energy(sigma->0) =      -13.88941737
  exchange ACFDT corr.  =        -0.00171350  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7691: real time      0.7704
    TRIAL :  cpu time    256.2446: real time    257.1968
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    257.5443: real time    258.4997

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4706203E-04  (-0.6630362E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.99953117
  -exchange      EXHF   =        33.38306124
  -V(xc)+E(xc)   XCENC  =       -83.51723370
  PAW double counting   =    101660.69323349  -101559.74276547
  entropy T*S    EENTRO =         0.00190699
  eigenvalues    EBANDS =       -34.92667303
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882856 eV

  energy without entropy =      -13.89073555  energy(sigma->0) =      -13.88946423
  exchange ACFDT corr.  =        -0.00171058  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7675: real time      0.7688
    TRIAL :  cpu time    255.6694: real time    256.6189
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.9678: real time    257.9204

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5296080E-05  (-0.1539296E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.99873242
  -exchange      EXHF   =        33.38305677
  -V(xc)+E(xc)   XCENC  =       -83.51723488
  PAW double counting   =    101660.66353994  -101559.71306790
  entropy T*S    EENTRO =         0.00190473
  eigenvalues    EBANDS =       -34.92747483
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883386 eV

  energy without entropy =      -13.89073859  energy(sigma->0) =      -13.88946877
  exchange ACFDT corr.  =        -0.00171094  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7707: real time      0.7721
    TRIAL :  cpu time    256.2104: real time    257.1668
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    257.5120: real time    258.4715

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4759699E-05  (-0.2201496E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.99590513
  -exchange      EXHF   =        33.38304132
  -V(xc)+E(xc)   XCENC  =       -83.51723862
  PAW double counting   =    101660.69351460  -101559.74303809
  entropy T*S    EENTRO =         0.00190667
  eigenvalues    EBANDS =       -34.93028039
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882910 eV

  energy without entropy =      -13.89073577  energy(sigma->0) =      -13.88946466
  exchange ACFDT corr.  =        -0.00171224  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     30(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7685: real time      0.7698
    TRIAL :  cpu time    255.2428: real time    256.1926
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.7417: real time    257.7171
    CHARGE:  cpu time      0.1078: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    513.2837: real time    515.2120

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6302184E-05  (-0.1521427E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63778823
  -Hartree energ DENC   =      -716.99845064
  -exchange      EXHF   =        33.38305327
  -V(xc)+E(xc)   XCENC  =       -83.51723532
  PAW double counting   =    101660.66092585  -101559.71045208
  entropy T*S    EENTRO =         0.00190633
  eigenvalues    EBANDS =       -34.92775757
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883540 eV

  energy without entropy =      -13.89074173  energy(sigma->0) =      -13.88947084
  exchange ACFDT corr.  =        -0.00171112  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1225


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7970       2 -69.6932       3 -69.7537       4 -69.7175       5 -69.8427
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407069772

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0214      0.00000
     15      16.0266      0.00000
     16      16.0330      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1412      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6268      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2733      0.00000
     16      12.6247      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6584      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8020      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6571      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.4579      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.5188      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5126      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5648      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5351      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5472      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4084      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4107      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8329      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8330      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2858     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2977     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2769     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3056     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6407     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6389     -0.00000
 Fermi energy:         3.2407069772

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0217      0.00000
     15      16.0251      0.00000
     16      16.0343      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1394      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2728      0.00000
     16      12.6225      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2693      0.00000
     13       9.7166      0.00000
     14      10.8011      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8865      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6543      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6780      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8641      1.01142
      9       3.7679     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8889      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.4576      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.2575      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3507      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.4794      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5418      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5510      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9861      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5330      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4400      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2680     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6026     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4086      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4125      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4080      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2320      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4063      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4061      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4322     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8342      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8881      1.00000
      7       2.7660      1.00200
      8       3.5165     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1655     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2756     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3162     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2865     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9613      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2307      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2758     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6392     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7019      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9078     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6382     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.1285: real time    202.8481
    FORNL :  cpu time      0.0788: real time      0.0790
    FORCOR:  cpu time      1.1879: real time      1.1907
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.497E-06 0.393E-05 0.184E+03   0.502E-13 0.258E-13 -.183E+03   -.991E-06 -.494E-05 -.122E+01
   0.627E-06 0.392E-06 0.928E+02   0.360E-14 0.536E-14 -.929E+02   -.141E-05 -.274E-06 0.191E+00
   -.236E-05 0.643E-06 -.520E+00   -.150E-12 -.875E-13 0.522E+00   0.340E-05 -.900E-06 -.106E-01
   0.105E-05 0.262E-06 -.940E+02   0.133E-12 0.841E-13 0.939E+02   -.135E-05 0.117E-06 0.573E-01
   -.719E-06 0.423E-05 -.183E+03   -.323E-13 -.242E-13 0.182E+03   0.438E-06 -.524E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.264E-06 0.104E-04 -.320E-02   0.439E-14 0.346E-14 0.284E-13   0.917E-07 -.112E-04 -.569E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.087266
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.095984
      1.42873      0.82488      4.62970         0.000001      0.000000     -0.006396
      2.85746      1.64976      6.92512        -0.000001      0.000000      0.000976
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.003298
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000001     -0.008707


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883540 eV

  energy  without entropy=      -13.89074173  energy(sigma->0) =      -13.88947084
 
 d Force =-0.3047743E-08[-0.107E-07, 0.464E-08]  d Energy =-0.5233375E-07 0.493E-07
 d Force = 0.3154654E-03[ 0.315E-03, 0.315E-03]  d Ewald  = 0.3154654E-03 0.324E-11


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


    POTLOK:  cpu time      1.1902: real time      1.1929


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




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


    WAVPRE:  cpu time      0.0033: real time      0.0542
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0572: real time      0.0574
    POTLOK:  cpu time      1.1875: real time      1.1902
    EDDIAG:  cpu time    257.3316: real time    258.3450
    CHARGE:  cpu time      0.1073: real time      0.1077
 writing wavefunctions
     LOOP+:  cpu time   3035.0241: real time   3046.9104


--------------------------------------- Iteration     31(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4183: real time      0.4197
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    255.0564: real time    256.0014
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.3547: real time    257.4458

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2112534E-03  (-0.9931357E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007637 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.98874446
  -exchange      EXHF   =        33.38300346
  -V(xc)+E(xc)   XCENC  =       -83.51724696
  PAW double counting   =    101660.83887453  -101559.88839892
  entropy T*S    EENTRO =         0.00191551
  eigenvalues    EBANDS =       -34.93739698
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88861785 eV

  energy without entropy =      -13.89053336  energy(sigma->0) =      -13.88925635
  exchange ACFDT corr.  =        -0.00171574  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4210
    SETDIJ:  cpu time      0.7674: real time      0.7689
    TRIAL :  cpu time    255.0921: real time    256.0413
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    256.3897: real time    257.3421

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1351143E-03  (-0.9499731E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -717.01009585
  -exchange      EXHF   =        33.38311677
  -V(xc)+E(xc)   XCENC  =       -83.51721789
  PAW double counting   =    101660.42673446  -101559.47626067
  entropy T*S    EENTRO =         0.00190276
  eigenvalues    EBANDS =       -34.91606783
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88848273 eV

  energy without entropy =      -13.89038549  energy(sigma->0) =      -13.88911698
  exchange ACFDT corr.  =        -0.00170603  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7686: real time      0.7701
    TRIAL :  cpu time    254.8092: real time    255.7547
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.1091: real time    257.0579

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3124343E-03  (-0.1940514E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99372436
  -exchange      EXHF   =        33.38302991
  -V(xc)+E(xc)   XCENC  =       -83.51724134
  PAW double counting   =    101660.82475379  -101559.87427844
  entropy T*S    EENTRO =         0.00190358
  eigenvalues    EBANDS =       -34.93263025
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879517 eV

  energy without entropy =      -13.89069875  energy(sigma->0) =      -13.88942969
  exchange ACFDT corr.  =        -0.00171334  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7658: real time      0.7673
    TRIAL :  cpu time    255.7596: real time    256.7550
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.0563: real time    258.0550

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1711069E-04  (-0.1187179E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99482932
  -exchange      EXHF   =        33.38303505
  -V(xc)+E(xc)   XCENC  =       -83.51724004
  PAW double counting   =    101660.85095880  -101559.90048249
  entropy T*S    EENTRO =         0.00190963
  eigenvalues    EBANDS =       -34.93155064
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881228 eV

  energy without entropy =      -13.89072190  energy(sigma->0) =      -13.88944882
  exchange ACFDT corr.  =        -0.00171292  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7709: real time      0.7723
    TRIAL :  cpu time    255.4361: real time    256.3817
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1082
    --------------------------------------------
      LOOP:  cpu time    256.7373: real time    257.6861

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2514509E-04  (-0.1372325E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -717.00249685
  -exchange      EXHF   =        33.38307499
  -V(xc)+E(xc)   XCENC  =       -83.51722997
  PAW double counting   =    101660.74466134  -101559.79419381
  entropy T*S    EENTRO =         0.00190477
  eigenvalues    EBANDS =       -34.92390523
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878713 eV

  energy without entropy =      -13.89069190  energy(sigma->0) =      -13.88942205
  exchange ACFDT corr.  =        -0.00170943  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7689: real time      0.7704
    TRIAL :  cpu time    255.2563: real time    256.2006
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.5562: real time    257.5038

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4240765E-04  (-0.5604593E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99627386
  -exchange      EXHF   =        33.38304236
  -V(xc)+E(xc)   XCENC  =       -83.51723827
  PAW double counting   =    101660.85872592  -101559.90824974
  entropy T*S    EENTRO =         0.00190528
  eigenvalues    EBANDS =       -34.93013349
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882954 eV

  energy without entropy =      -13.89073482  energy(sigma->0) =      -13.88946463
  exchange ACFDT corr.  =        -0.00171224  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7695: real time      0.7710
    TRIAL :  cpu time    255.8805: real time    256.8390
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    257.1814: real time    258.1431

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4523333E-05  (-0.1417537E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99682513
  -exchange      EXHF   =        33.38304566
  -V(xc)+E(xc)   XCENC  =       -83.51723757
  PAW double counting   =    101660.85954125  -101559.90906534
  entropy T*S    EENTRO =         0.00190742
  eigenvalues    EBANDS =       -34.92959099
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883406 eV

  energy without entropy =      -13.89074148  energy(sigma->0) =      -13.88946987
  exchange ACFDT corr.  =        -0.00171194  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4217
    SETDIJ:  cpu time      0.7714: real time      0.7728
    TRIAL :  cpu time    256.2761: real time    257.2426
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1082: real time      0.1086
    --------------------------------------------
      LOOP:  cpu time    257.5784: real time    258.5481

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4173561E-05  (-0.1964379E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99950311
  -exchange      EXHF   =        33.38305994
  -V(xc)+E(xc)   XCENC  =       -83.51723418
  PAW double counting   =    101660.83158657  -101559.88111786
  entropy T*S    EENTRO =         0.00190556
  eigenvalues    EBANDS =       -34.92692145
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882989 eV

  energy without entropy =      -13.89073544  energy(sigma->0) =      -13.88946507
  exchange ACFDT corr.  =        -0.00171071  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     31(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    256.3194: real time    257.3012
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.7860: real time    257.7423
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    514.4059: real time    516.3473

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5712015E-05  (-0.1228707E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63800853
  -Hartree energ DENC   =      -716.99722761
  -exchange      EXHF   =        33.38305027
  -V(xc)+E(xc)   XCENC  =       -83.51723701
  PAW double counting   =    101660.86048638  -101559.91001061
  entropy T*S    EENTRO =         0.00190582
  eigenvalues    EBANDS =       -34.92919325
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883560 eV

  energy without entropy =      -13.89074142  energy(sigma->0) =      -13.88947087
  exchange ACFDT corr.  =        -0.00171179  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0613


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8133       2 -69.7052       3 -69.7540       4 -69.7058       5 -69.8263
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407087581

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0210      0.00000
     15      16.0255      0.00000
     16      16.0315      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1398      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2733      0.00000
     16      12.6246      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6553      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7832      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6544      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4520      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5187      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5119      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5619      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5347      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5472      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4081      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4102      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8330      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4666     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2845     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2952     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2765     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.3018     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6404     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6388     -0.00000
 Fermi energy:         3.2407087581

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0213      0.00000
     15      16.0251      0.00000
     16      16.0323      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1385      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6222      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9321      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6930      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6523      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6698      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8838      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4517      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2563      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7150      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9848      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4754      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5421      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5492      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9852      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5336      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7002      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4086      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7103      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2330      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4064      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4064      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8337      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2755     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.3123     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2853     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2316      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2756     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1851      1.00000
      6       1.1917      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9194      1.02282
     10       3.4279     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6391     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6380     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.0147: real time    202.7368
    FORNL :  cpu time      0.0791: real time      0.0793
    FORCOR:  cpu time      1.1876: real time      1.1904
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.315E-06 0.286E-05 0.184E+03   0.505E-13 0.259E-13 -.183E+03   -.688E-06 -.360E-05 -.122E+01
   0.201E-06 -.265E-06 0.928E+02   0.386E-14 0.567E-14 -.929E+02   -.569E-06 0.441E-06 0.191E+00
   -.323E-05 0.783E-06 -.512E+00   -.153E-12 -.843E-13 0.522E+00   0.421E-05 -.110E-05 -.107E-01
   -.286E-06 -.118E-06 -.940E+02   0.141E-12 0.776E-13 0.939E+02   0.358E-06 0.525E-06 0.570E-01
   -.799E-06 0.333E-05 -.183E+03   -.371E-13 -.214E-13 0.182E+03   0.674E-06 -.403E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.364E-05 0.718E-05 0.152E-01   0.439E-14 0.346E-14 0.000E+00   0.399E-05 -.776E-05 -.706E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.091625
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.097994
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.001992
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.003215
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.007591
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001      0.008347


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883560 eV

  energy  without entropy=      -13.89074142  energy(sigma->0) =      -13.88947087
 
 d Force = 0.2298180E-08[-0.290E-08, 0.749E-08]  d Energy = 0.1994148E-06-0.197E-06
 d Force =-0.2203014E-03[-0.220E-03,-0.220E-03]  d Ewald  =-0.2203014E-03-0.199E-11


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


    POTLOK:  cpu time      1.1928: real time      1.1956


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




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


    WAVPRE:  cpu time      0.8320: real time      0.9687
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0528: real time      0.0530
    POTLOK:  cpu time      1.1914: real time      1.1942
    EDDIAG:  cpu time    257.1788: real time    258.1518
    CHARGE:  cpu time      0.1070: real time      0.1074
 writing wavefunctions
     LOOP+:  cpu time   3032.8934: real time   3045.2034


--------------------------------------- Iteration     32(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4191: real time      0.4205
    SETDIJ:  cpu time      0.7724: real time      0.7738
    TRIAL :  cpu time    255.7213: real time    256.6861
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1080: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    257.0251: real time    258.1126

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2078205E-03  (-0.9738957E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -717.00689088
  -exchange      EXHF   =        33.38310098
  -V(xc)+E(xc)   XCENC  =       -83.51722243
  PAW double counting   =    101660.64308736  -101559.69261235
  entropy T*S    EENTRO =         0.00189720
  eigenvalues    EBANDS =       -34.91928092
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88862207 eV

  energy without entropy =      -13.89051927  energy(sigma->0) =      -13.88925447
  exchange ACFDT corr.  =        -0.00170715  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4196: real time      0.4210
    SETDIJ:  cpu time      0.7681: real time      0.7695
    TRIAL :  cpu time    256.5726: real time    257.5298
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    257.8707: real time    258.8311

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1330661E-03  (-0.9335978E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.98644630
  -exchange      EXHF   =        33.38299141
  -V(xc)+E(xc)   XCENC  =       -83.51725012
  PAW double counting   =    101661.03899571  -101560.08851800
  entropy T*S    EENTRO =         0.00190940
  eigenvalues    EBANDS =       -34.93944151
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88848900 eV

  energy without entropy =      -13.89039840  energy(sigma->0) =      -13.88912547
  exchange ACFDT corr.  =        -0.00171655  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4213
    SETDIJ:  cpu time      0.7704: real time      0.7720
    TRIAL :  cpu time    256.4277: real time    257.4027
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    257.7282: real time    258.7065

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3067468E-03  (-0.1950790E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -717.00182109
  -exchange      EXHF   =        33.38307421
  -V(xc)+E(xc)   XCENC  =       -83.51723025
  PAW double counting   =    101660.77387809  -101559.82341164
  entropy T*S    EENTRO =         0.00190866
  eigenvalues    EBANDS =       -34.92447708
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879575 eV

  energy without entropy =      -13.89070441  energy(sigma->0) =      -13.88943197
  exchange ACFDT corr.  =        -0.00170955  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    256.8169: real time    257.8236
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    258.1163: real time    259.1263

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1715933E-04  (-0.1159500E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -717.00095817
  -exchange      EXHF   =        33.38306928
  -V(xc)+E(xc)   XCENC  =       -83.51723157
  PAW double counting   =    101660.76106662  -101559.81060175
  entropy T*S    EENTRO =         0.00190278
  eigenvalues    EBANDS =       -34.92534860
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881291 eV

  energy without entropy =      -13.89071569  energy(sigma->0) =      -13.88944717
  exchange ACFDT corr.  =        -0.00170998  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7688: real time      0.7702
    TRIAL :  cpu time    255.6006: real time    256.6853
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1078: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    256.8999: real time    257.9879

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2501444E-04  (-0.1354947E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.99353112
  -exchange      EXHF   =        33.38302877
  -V(xc)+E(xc)   XCENC  =       -83.51724142
  PAW double counting   =    101660.84207080  -101559.89159807
  entropy T*S    EENTRO =         0.00190754
  eigenvalues    EBANDS =       -34.93270225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878789 eV

  energy without entropy =      -13.89069543  energy(sigma->0) =      -13.88942374
  exchange ACFDT corr.  =        -0.00171338  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4195: real time      0.4211
    SETDIJ:  cpu time      0.7683: real time      0.7701
    TRIAL :  cpu time    256.3577: real time    257.3345
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1079: real time      0.1083
    --------------------------------------------
      LOOP:  cpu time    257.6560: real time    258.6365

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4160700E-04  (-0.5905963E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.99952571
  -exchange      EXHF   =        33.38306093
  -V(xc)+E(xc)   XCENC  =       -83.51723381
  PAW double counting   =    101660.69389784  -101559.74342923
  entropy T*S    EENTRO =         0.00190696
  eigenvalues    EBANDS =       -34.92678968
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882950 eV

  energy without entropy =      -13.89073646  energy(sigma->0) =      -13.88946515
  exchange ACFDT corr.  =        -0.00171063  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4207: real time      0.4221
    SETDIJ:  cpu time      0.7703: real time      0.7717
    TRIAL :  cpu time    256.2827: real time    257.2468
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    257.5834: real time    258.5507

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4711295E-05  (-0.1357733E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.99877985
  -exchange      EXHF   =        33.38305678
  -V(xc)+E(xc)   XCENC  =       -83.51723490
  PAW double counting   =    101660.66717305  -101559.71670070
  entropy T*S    EENTRO =         0.00190483
  eigenvalues    EBANDS =       -34.92753816
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883421 eV

  energy without entropy =      -13.89073905  energy(sigma->0) =      -13.88946916
  exchange ACFDT corr.  =        -0.00171097  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4214
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    256.2931: real time    257.2547
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1081: real time      0.1085
    --------------------------------------------
      LOOP:  cpu time    257.5942: real time    258.5590

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4218326E-05  (-0.1947980E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.99612478
  -exchange      EXHF   =        33.38304229
  -V(xc)+E(xc)   XCENC  =       -83.51723840
  PAW double counting   =    101660.69796120  -101559.74748477
  entropy T*S    EENTRO =         0.00190666
  eigenvalues    EBANDS =       -34.93017298
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882999 eV

  energy without entropy =      -13.89073665  energy(sigma->0) =      -13.88946555
  exchange ACFDT corr.  =        -0.00171219  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     32(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7698: real time      0.7712
    TRIAL :  cpu time    255.7596: real time    256.7232
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.5917: real time    257.5502
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    513.6521: real time    515.5774

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5568353E-05  (-0.1357816E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63789838
  -Hartree energ DENC   =      -716.99851885
  -exchange      EXHF   =        33.38305349
  -V(xc)+E(xc)   XCENC  =       -83.51723531
  PAW double counting   =    101660.66967774  -101559.71920381
  entropy T*S    EENTRO =         0.00190633
  eigenvalues    EBANDS =       -34.92779997
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883556 eV

  energy without entropy =      -13.89074189  energy(sigma->0) =      -13.88947101
  exchange ACFDT corr.  =        -0.00171114  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1260


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7975       2 -69.6935       3 -69.7538       4 -69.7171       5 -69.8422
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407064633

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0213      0.00000
     15      16.0265      0.00000
     16      16.0329      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1403      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2731      0.00000
     16      12.6247      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6547      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7620      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6540      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4461      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.5185      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5111      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5619      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5346      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5455      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4080      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4091      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8329      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2834     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2930     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2763     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2988     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01674
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6400     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6386     -0.00000
 Fermi energy:         3.2407064633

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5807      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0215      0.00000
     15      16.0248      0.00000
     16      16.0336      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1393      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2167     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8003      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6224      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9313      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5389     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6922      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6523      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6650      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8789      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.4457      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.2569      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4713      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5406      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5491      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5328      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6994      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4081      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4075      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2902      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6946     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4078      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2063      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8164      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3507     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4060      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4059      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8329      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8336      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4550      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4296     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2754     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.3084     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2840     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0595     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7805     -0.00000
     15       7.9245     -0.00000
     16       8.2754     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1858      1.00000
      6       1.1928      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01674
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3515     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6389     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7307      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7251      1.00000
      7       0.9848      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6381     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0009
    FORHF :  cpu time    202.0459: real time    202.7916
    FORNL :  cpu time      0.0788: real time      0.0791
    FORCOR:  cpu time      1.1882: real time      1.1910
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.190E-06 0.312E-05 0.184E+03   0.503E-13 0.256E-13 -.183E+03   -.613E-06 -.395E-05 -.122E+01
   0.432E-06 0.124E-06 0.928E+02   0.191E-14 0.529E-14 -.929E+02   -.111E-05 0.181E-07 0.191E+00
   -.199E-05 0.798E-06 -.519E+00   -.148E-12 -.856E-13 0.522E+00   0.289E-05 -.109E-05 -.106E-01
   0.698E-06 0.886E-07 -.940E+02   0.138E-12 0.833E-13 0.939E+02   -.925E-06 0.285E-06 0.573E-01
   -.684E-06 0.345E-05 -.183E+03   -.373E-13 -.251E-13 0.182E+03   0.457E-06 -.426E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.754E-06 0.838E-05 -.262E-02   0.439E-14 0.346E-14 0.284E-13   0.708E-06 -.900E-05 -.573E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.087406
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.096046
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.006254
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.001052
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.003438
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000001     -0.008163


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883556 eV

  energy  without entropy=      -13.89074189  energy(sigma->0) =      -13.88947101
 
 d Force =-0.1063154E-08[-0.358E-08, 0.145E-08]  d Energy =-0.3867206E-07 0.376E-07
 d Force = 0.1101507E-03[ 0.110E-03, 0.110E-03]  d Ewald  = 0.1101507E-03 0.455E-12


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


    POTLOK:  cpu time      1.1880: real time      1.1907


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




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


    WAVPRE:  cpu time      0.0036: real time      0.0484
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0573: real time      0.0575
    POTLOK:  cpu time      1.1900: real time      1.1928
    EDDIAG:  cpu time    257.6723: real time    258.6809
    CHARGE:  cpu time      0.1072: real time      0.1076
 writing wavefunctions
     LOOP+:  cpu time   3038.3247: real time   3050.3620


--------------------------------------- Iteration     33(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4191: real time      0.4205
    SETDIJ:  cpu time      0.7703: real time      0.7717
    TRIAL :  cpu time    256.1853: real time    257.1809
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    257.4864: real time    258.6356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1852849E-03  (-0.8713124E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007637 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.98928291
  -exchange      EXHF   =        33.38300655
  -V(xc)+E(xc)   XCENC  =       -83.51724633
  PAW double counting   =    101660.83915997  -101559.88868440
  entropy T*S    EENTRO =         0.00191488
  eigenvalues    EBANDS =       -34.93685776
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88864471 eV

  energy without entropy =      -13.89055959  energy(sigma->0) =      -13.88928300
  exchange ACFDT corr.  =        -0.00171549  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7675: real time      0.7689
    TRIAL :  cpu time    255.5355: real time    256.5025
    CORREC:  cpu time      0.0021: real time      0.0022
    CHARGE:  cpu time      0.1082: real time      0.1086
    --------------------------------------------
      LOOP:  cpu time    256.8339: real time    257.8040

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1185762E-03  (-0.8336445E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -717.00926528
  -exchange      EXHF   =        33.38311259
  -V(xc)+E(xc)   XCENC  =       -83.51721903
  PAW double counting   =    101660.45298629  -101559.50251222
  entropy T*S    EENTRO =         0.00190295
  eigenvalues    EBANDS =       -34.91690436
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88852613 eV

  energy without entropy =      -13.89042908  energy(sigma->0) =      -13.88916045
  exchange ACFDT corr.  =        -0.00170639  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7697: real time      0.7711
    TRIAL :  cpu time    254.5121: real time    255.4749
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1083: real time      0.1087
    --------------------------------------------
      LOOP:  cpu time    255.8129: real time    256.7787

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2741053E-03  (-0.1710386E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99395960
  -exchange      EXHF   =        33.38303136
  -V(xc)+E(xc)   XCENC  =       -83.51724104
  PAW double counting   =    101660.82358827  -101559.87311243
  entropy T*S    EENTRO =         0.00190372
  eigenvalues    EBANDS =       -34.93237076
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880024 eV

  energy without entropy =      -13.89070396  energy(sigma->0) =      -13.88943481
  exchange ACFDT corr.  =        -0.00171323  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7691: real time      0.7704
    TRIAL :  cpu time    255.1515: real time    256.1109
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    256.4511: real time    257.4137

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1507459E-04  (-0.1040694E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99499502
  -exchange      EXHF   =        33.38303618
  -V(xc)+E(xc)   XCENC  =       -83.51723979
  PAW double counting   =    101660.85348505  -101559.90300866
  entropy T*S    EENTRO =         0.00190938
  eigenvalues    EBANDS =       -34.93135780
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881531 eV

  energy without entropy =      -13.89072469  energy(sigma->0) =      -13.88945177
  exchange ACFDT corr.  =        -0.00171284  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4209: real time      0.4223
    SETDIJ:  cpu time      0.7716: real time      0.7730
    TRIAL :  cpu time    254.6501: real time    255.5899
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1082: real time      0.1086
    --------------------------------------------
      LOOP:  cpu time    255.9534: real time    256.8963

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2208940E-04  (-0.1204476E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -717.00217069
  -exchange      EXHF   =        33.38307356
  -V(xc)+E(xc)   XCENC  =       -83.51723043
  PAW double counting   =    101660.75893000  -101559.80846332
  entropy T*S    EENTRO =         0.00190483
  eigenvalues    EBANDS =       -34.92420274
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879322 eV

  energy without entropy =      -13.89069805  energy(sigma->0) =      -13.88942817
  exchange ACFDT corr.  =        -0.00170957  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    254.8961: real time    255.8565
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1077: real time      0.1080
    --------------------------------------------
      LOOP:  cpu time    256.1951: real time    257.1587

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3719285E-04  (-0.4951950E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99634738
  -exchange      EXHF   =        33.38304301
  -V(xc)+E(xc)   XCENC  =       -83.51723813
  PAW double counting   =    101660.86179479  -101559.91131867
  entropy T*S    EENTRO =         0.00190531
  eigenvalues    EBANDS =       -34.93002987
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883042 eV

  energy without entropy =      -13.89073573  energy(sigma->0) =      -13.88946552
  exchange ACFDT corr.  =        -0.00171220  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7694: real time      0.7708
    TRIAL :  cpu time    255.1432: real time    256.1013
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.4430: real time    257.4043

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3993078E-05  (-0.1240678E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99686851
  -exchange      EXHF   =        33.38304611
  -V(xc)+E(xc)   XCENC  =       -83.51723749
  PAW double counting   =    101660.86143137  -101559.91095551
  entropy T*S    EENTRO =         0.00190731
  eigenvalues    EBANDS =       -34.92951670
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883441 eV

  energy without entropy =      -13.89074172  energy(sigma->0) =      -13.88947018
  exchange ACFDT corr.  =        -0.00171193  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7691: real time      0.7705
    TRIAL :  cpu time    254.3207: real time    255.2704
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1081: real time      0.1084
    --------------------------------------------
      LOOP:  cpu time    255.6204: real time    256.5733

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3669008E-05  (-0.1724050E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99937249
  -exchange      EXHF   =        33.38305947
  -V(xc)+E(xc)   XCENC  =       -83.51723431
  PAW double counting   =    101660.83563843  -101559.88516915
  entropy T*S    EENTRO =         0.00190557
  eigenvalues    EBANDS =       -34.92702101
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883074 eV

  energy without entropy =      -13.89073631  energy(sigma->0) =      -13.88946593
  exchange ACFDT corr.  =        -0.00171077  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     33(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4197: real time      0.4210
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    255.3147: real time    256.3211
    CORREC:  cpu time      0.0021: real time      0.0021
    EDDIAG:  cpu time    256.0326: real time    256.9898
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    512.6473: real time    514.6140

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5007280E-05  (-0.1086332E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63797676
  -Hartree energ DENC   =      -716.99723874
  -exchange      EXHF   =        33.38305038
  -V(xc)+E(xc)   XCENC  =       -83.51723697
  PAW double counting   =    101660.86391610  -101559.91344035
  entropy T*S    EENTRO =         0.00190582
  eigenvalues    EBANDS =       -34.92915078
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883575 eV

  energy without entropy =      -13.89074156  energy(sigma->0) =      -13.88947102
  exchange ACFDT corr.  =        -0.00171178  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0623


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8128       2 -69.7048       3 -69.7540       4 -69.7061       5 -69.8268
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407090124

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0210      0.00000
     15      16.0255      0.00000
     16      16.0316      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1393      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2731      0.00000
     16      12.6245      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6528      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7407      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6521      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4393      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5184      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5103      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5593      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5343      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5456      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4079      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4090      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2824     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2910     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2761     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2957     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6397     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6385     -0.00000
 Fermi energy:         3.2407090124

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0211      0.00000
     15      16.0248      0.00000
     16      16.0319      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6221      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6509      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6602      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8730      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4389      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2560      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4666      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5409      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5216      0.00000
     15      11.6814      0.00000
     16      12.5475      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5334      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1483      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4081      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4061      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4062      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8333      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8874      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2754     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.3051     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2831     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2753     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2095      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6388     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7317      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9839      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.0376: real time    202.7807
    FORNL :  cpu time      0.0788: real time      0.0790
    FORCOR:  cpu time      1.1856: real time      1.1884
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.211E-06 0.231E-05 0.184E+03   0.506E-13 0.261E-13 -.183E+03   -.590E-06 -.295E-05 -.122E+01
   0.154E-06 -.275E-06 0.928E+02   0.280E-14 0.547E-14 -.929E+02   -.513E-06 0.384E-06 0.191E+00
   -.281E-05 0.848E-06 -.512E+00   -.153E-12 -.880E-13 0.522E+00   0.369E-05 -.113E-05 -.107E-01
   -.381E-06 -.496E-07 -.940E+02   0.145E-12 0.816E-13 0.939E+02   0.437E-06 0.368E-06 0.570E-01
   -.628E-06 0.278E-05 -.183E+03   -.403E-13 -.217E-13 0.182E+03   0.485E-06 -.336E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.327E-05 0.616E-05 0.146E-01   0.439E-14 0.346E-14 -.568E-13   0.351E-05 -.669E-05 -.700E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.091483
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.097929
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.002137
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.003141
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.007450
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001      0.007781


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883575 eV

  energy  without entropy=      -13.89074156  energy(sigma->0) =      -13.88947102
 
 d Force = 0.8175263E-09[-0.909E-09, 0.254E-08]  d Energy = 0.1852338E-06-0.184E-06
 d Force =-0.7838592E-04[-0.784E-04,-0.784E-04]  d Ewald  =-0.7838592E-04 0.551E-11


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


    POTLOK:  cpu time      1.1906: real time      1.1933


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




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


    WAVPRE:  cpu time      0.0035: real time      0.0593
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1911: real time      1.1939
    EDDIAG:  cpu time    257.8304: real time    258.8168
    CHARGE:  cpu time      0.1078: real time      0.1082
 writing wavefunctions
     LOOP+:  cpu time   3027.7846: real time   3039.8624


--------------------------------------- Iteration     34(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4421: real time      0.4436
    SETDIJ:  cpu time      0.7686: real time      0.7700
    TRIAL :  cpu time    255.8520: real time    256.8669
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.1741: real time    258.3394

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1812269E-03  (-0.8494867E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -717.00632452
  -exchange      EXHF   =        33.38309776
  -V(xc)+E(xc)   XCENC  =       -83.51722332
  PAW double counting   =    101660.66530840  -101559.71483303
  entropy T*S    EENTRO =         0.00189777
  eigenvalues    EBANDS =       -34.91990968
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88864951 eV

  energy without entropy =      -13.89054728  energy(sigma->0) =      -13.88928210
  exchange ACFDT corr.  =        -0.00170744  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7724: real time      0.7738
    TRIAL :  cpu time    256.7503: real time    257.7755
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    258.0530: real time    259.0814

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1161299E-03  (-0.8145738E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.98721193
  -exchange      EXHF   =        33.38299533
  -V(xc)+E(xc)   XCENC  =       -83.51724911
  PAW double counting   =    101661.03526182  -101560.08478500
  entropy T*S    EENTRO =         0.00190918
  eigenvalues    EBANDS =       -34.93876408
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88853338 eV

  energy without entropy =      -13.89044257  energy(sigma->0) =      -13.88916978
  exchange ACFDT corr.  =        -0.00171622  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    256.0497: real time    257.0644
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    257.3489: real time    258.3668

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2675682E-03  (-0.1710881E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -717.00161029
  -exchange      EXHF   =        33.38307282
  -V(xc)+E(xc)   XCENC  =       -83.51723068
  PAW double counting   =    101660.79173031  -101559.84126376
  entropy T*S    EENTRO =         0.00190849
  eigenvalues    EBANDS =       -34.92473034
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880095 eV

  energy without entropy =      -13.89070944  energy(sigma->0) =      -13.88943711
  exchange ACFDT corr.  =        -0.00170968  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7695: real time      0.7709
    TRIAL :  cpu time    254.9747: real time    255.9340
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    256.2742: real time    257.2368

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1504134E-04  (-0.1010431E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -717.00078367
  -exchange      EXHF   =        33.38306817
  -V(xc)+E(xc)   XCENC  =       -83.51723190
  PAW double counting   =    101660.78123853  -101559.83077413
  entropy T*S    EENTRO =         0.00190299
  eigenvalues    EBANDS =       -34.92556329
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881599 eV

  energy without entropy =      -13.89071898  energy(sigma->0) =      -13.88945032
  exchange ACFDT corr.  =        -0.00171008  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7681: real time      0.7695
    TRIAL :  cpu time    255.9834: real time    256.9879
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.2817: real time    258.2892

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2185744E-04  (-0.1182541E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.99383451
  -exchange      EXHF   =        33.38303034
  -V(xc)+E(xc)   XCENC  =       -83.51724110
  PAW double counting   =    101660.84939799  -101559.89892459
  entropy T*S    EENTRO =         0.00190744
  eigenvalues    EBANDS =       -34.93244707
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879413 eV

  energy without entropy =      -13.89070157  energy(sigma->0) =      -13.88942995
  exchange ACFDT corr.  =        -0.00171326  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7687: real time      0.7701
    TRIAL :  cpu time    255.6621: real time    256.6714
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.9618: real time    257.9744

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3628209E-04  (-0.5194509E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.99944811
  -exchange      EXHF   =        33.38306047
  -V(xc)+E(xc)   XCENC  =       -83.51723394
  PAW double counting   =    101660.70821731  -101559.75774805
  entropy T*S    EENTRO =         0.00190689
  eigenvalues    EBANDS =       -34.92690734
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883042 eV

  energy without entropy =      -13.89073731  energy(sigma->0) =      -13.88946605
  exchange ACFDT corr.  =        -0.00171069  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7697: real time      0.7711
    TRIAL :  cpu time    256.2900: real time    257.2960
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    257.5894: real time    258.5987

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4138109E-05  (-0.1180848E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.99875630
  -exchange      EXHF   =        33.38305662
  -V(xc)+E(xc)   XCENC  =       -83.51723495
  PAW double counting   =    101660.68385406  -101559.73338137
  entropy T*S    EENTRO =         0.00190491
  eigenvalues    EBANDS =       -34.92760133
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883456 eV

  energy without entropy =      -13.89073947  energy(sigma->0) =      -13.88946953
  exchange ACFDT corr.  =        -0.00171100  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7730: real time      0.7744
    TRIAL :  cpu time    256.0669: real time    257.0869
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.3702: real time    258.3935

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3689264E-05  (-0.1700338E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.99627895
  -exchange      EXHF   =        33.38304311
  -V(xc)+E(xc)   XCENC  =       -83.51723822
  PAW double counting   =    101660.71452830  -101559.76405195
  entropy T*S    EENTRO =         0.00190662
  eigenvalues    EBANDS =       -34.93005989
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883087 eV

  energy without entropy =      -13.89073749  energy(sigma->0) =      -13.88946641
  exchange ACFDT corr.  =        -0.00171215  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     34(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4218
    SETDIJ:  cpu time      0.7693: real time      0.7707
    TRIAL :  cpu time    256.9045: real time    257.8751
    CORREC:  cpu time      0.0023: real time      0.0023
    EDDIAG:  cpu time    257.0619: real time    258.0384
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    515.2657: real time    517.2161

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4852351E-05  (-0.1196370E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63793757
  -Hartree energ DENC   =      -716.99851424
  -exchange      EXHF   =        33.38305353
  -V(xc)+E(xc)   XCENC  =       -83.51723533
  PAW double counting   =    101660.68971173  -101559.73923762
  entropy T*S    EENTRO =         0.00190631
  eigenvalues    EBANDS =       -34.92784400
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883572 eV

  energy without entropy =      -13.89074203  energy(sigma->0) =      -13.88947116
  exchange ACFDT corr.  =        -0.00171116  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1298


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7980       2 -69.6939       3 -69.7538       4 -69.7168       5 -69.8417
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407064224

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5806      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0213      0.00000
     15      16.0264      0.00000
     16      16.0328      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1391      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1398      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2730      0.00000
     16      12.6246      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6526      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.7226      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6521      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4324      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9943      0.00000
     16      10.5183      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5093      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5592      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5342      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5439      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4078      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4082      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2816     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2892     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2759     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2933     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6394     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6384     -0.00000
 Fermi energy:         3.2407064224

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5806      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0214      0.00000
     15      16.0246      0.00000
     16      16.0332      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3311      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6223      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7873      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3366     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6513      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6579      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9713      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8671      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4320      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.2567      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7142      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4617      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5396      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5473      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4572      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9461      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6818      0.00000
     16      12.5327      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4078      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7095      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4077      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4058      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4058      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8386     -0.00000
     10       6.4761     -0.00000
     11       6.7957     -0.00000
     12       7.3063     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8333      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.3018     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2820     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6086      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2087      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9199      1.02281
     10       3.4268     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6386     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3555      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3070     -0.00000
     16       7.6380     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.9881: real time    202.7199
    FORNL :  cpu time      0.0786: real time      0.0789
    FORCOR:  cpu time      1.1852: real time      1.1879
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.825E-07 0.228E-05 0.184E+03   0.509E-13 0.262E-13 -.183E+03   -.463E-06 -.296E-05 -.122E+01
   0.326E-06 0.497E-07 0.928E+02   0.497E-14 0.474E-14 -.929E+02   -.925E-06 0.631E-07 0.191E+00
   -.158E-05 0.895E-06 -.519E+00   -.156E-12 -.898E-13 0.522E+00   0.235E-05 -.115E-05 -.106E-01
   0.469E-06 0.779E-07 -.940E+02   0.144E-12 0.854E-13 0.939E+02   -.645E-06 0.236E-06 0.573E-01
   -.522E-06 0.261E-05 -.183E+03   -.396E-13 -.230E-13 0.182E+03   0.325E-06 -.326E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.632E-06 0.662E-05 -.202E-02   0.439E-14 0.346E-14 -.284E-13   0.641E-06 -.707E-05 -.577E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.087551
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.096112
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.006109
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.001129
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.003582
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001     -0.007602


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883572 eV

  energy  without entropy=      -13.89074203  energy(sigma->0) =      -13.88947116
 
 d Force =-0.3777927E-09[-0.121E-08, 0.455E-09]  d Energy =-0.2859736E-07 0.282E-07
 d Force = 0.3919296E-04[ 0.392E-04, 0.392E-04]  d Ewald  = 0.3919297E-04-0.637E-11


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


    POTLOK:  cpu time      1.1876: real time      1.1903


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0499
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0565: real time      0.0567
    POTLOK:  cpu time      1.1879: real time      1.1906
    EDDIAG:  cpu time    258.3333: real time    259.3646
    CHARGE:  cpu time      0.1057: real time      0.1061
 writing wavefunctions
     LOOP+:  cpu time   3038.1525: real time   3050.3992


--------------------------------------- Iteration     35(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4191: real time      0.4206
    SETDIJ:  cpu time      0.7685: real time      0.7699
    TRIAL :  cpu time    256.1764: real time    257.1452
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1070: real time      0.1074
    --------------------------------------------
      LOOP:  cpu time    257.4753: real time    258.5755

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1601863E-03  (-0.7535359E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007637 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.98987581
  -exchange      EXHF   =        33.38300976
  -V(xc)+E(xc)   XCENC  =       -83.51724572
  PAW double counting   =    101660.85101878  -101559.90054355
  entropy T*S    EENTRO =         0.00191423
  eigenvalues    EBANDS =       -34.93628407
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88867068 eV

  energy without entropy =      -13.89058491  energy(sigma->0) =      -13.88930876
  exchange ACFDT corr.  =        -0.00171522  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4219
    SETDIJ:  cpu time      0.7685: real time      0.7701
    TRIAL :  cpu time    256.9840: real time    257.9475
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1073
    --------------------------------------------
      LOOP:  cpu time    258.2825: real time    259.2493

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1025797E-03  (-0.7211515E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -717.00843461
  -exchange      EXHF   =        33.38310826
  -V(xc)+E(xc)   XCENC  =       -83.51722019
  PAW double counting   =    101660.48735204  -101559.53687748
  entropy T*S    EENTRO =         0.00190315
  eigenvalues    EBANDS =       -34.91776066
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88856810 eV

  energy without entropy =      -13.89047125  energy(sigma->0) =      -13.88920248
  exchange ACFDT corr.  =        -0.00170677  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7690: real time      0.7706
    TRIAL :  cpu time    256.0863: real time    257.0458
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.3857: real time    258.3487

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2370455E-03  (-0.1487177E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99422087
  -exchange      EXHF   =        33.38303281
  -V(xc)+E(xc)   XCENC  =       -83.51724074
  PAW double counting   =    101660.82848769  -101559.87801159
  entropy T*S    EENTRO =         0.00190387
  eigenvalues    EBANDS =       -34.93210591
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880515 eV

  energy without entropy =      -13.89070901  energy(sigma->0) =      -13.88943977
  exchange ACFDT corr.  =        -0.00171311  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7682: real time      0.7698
    TRIAL :  cpu time    255.9715: real time    256.9392
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    257.2694: real time    258.2405

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1310005E-04  (-0.8991293E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99518410
  -exchange      EXHF   =        33.38303731
  -V(xc)+E(xc)   XCENC  =       -83.51723955
  PAW double counting   =    101660.86150787  -101559.91103143
  entropy T*S    EENTRO =         0.00190912
  eigenvalues    EBANDS =       -34.93116253
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881825 eV

  energy without entropy =      -13.89072737  energy(sigma->0) =      -13.88945462
  exchange ACFDT corr.  =        -0.00171276  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4217: real time      0.4231
    SETDIJ:  cpu time      0.7701: real time      0.7718
    TRIAL :  cpu time    256.1394: real time    257.1029
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.4412: real time    258.4081

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1913382E-04  (-0.1042175E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -717.00185286
  -exchange      EXHF   =        33.38307207
  -V(xc)+E(xc)   XCENC  =       -83.51723090
  PAW double counting   =    101660.77801898  -101559.82755251
  entropy T*S    EENTRO =         0.00190490
  eigenvalues    EBANDS =       -34.92451332
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88879911 eV

  energy without entropy =      -13.89070401  energy(sigma->0) =      -13.88943408
  exchange ACFDT corr.  =        -0.00170972  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7671: real time      0.7684
    TRIAL :  cpu time    255.0181: real time    255.9792
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.3158: real time    257.2800

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3215373E-04  (-0.4318863E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99644393
  -exchange      EXHF   =        33.38304369
  -V(xc)+E(xc)   XCENC  =       -83.51723800
  PAW double counting   =    101660.87268418  -101559.92220812
  entropy T*S    EENTRO =         0.00190535
  eigenvalues    EBANDS =       -34.92992429
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883127 eV

  energy without entropy =      -13.89073661  energy(sigma->0) =      -13.88946638
  exchange ACFDT corr.  =        -0.00171216  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7695: real time      0.7708
    TRIAL :  cpu time    256.6899: real time    257.6747
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.9896: real time    258.9775

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3476971E-05  (-0.1069907E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99693425
  -exchange      EXHF   =        33.38304661
  -V(xc)+E(xc)   XCENC  =       -83.51723739
  PAW double counting   =    101660.87249757  -101559.92202176
  entropy T*S    EENTRO =         0.00190721
  eigenvalues    EBANDS =       -34.92944118
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883474 eV

  energy without entropy =      -13.89074195  energy(sigma->0) =      -13.88947048
  exchange ACFDT corr.  =        -0.00171190  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    256.5870: real time    257.5593
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    257.8858: real time    258.8612

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3179388E-05  (-0.1491859E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99925882
  -exchange      EXHF   =        33.38305901
  -V(xc)+E(xc)   XCENC  =       -83.51723443
  PAW double counting   =    101660.84907616  -101559.89860629
  entropy T*S    EENTRO =         0.00190558
  eigenvalues    EBANDS =       -34.92712471
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883156 eV

  energy without entropy =      -13.89073715  energy(sigma->0) =      -13.88946676
  exchange ACFDT corr.  =        -0.00171083  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     35(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4210: real time      0.4224
    SETDIJ:  cpu time      0.7675: real time      0.7689
    TRIAL :  cpu time    256.4361: real time    257.4058
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.4323: real time    257.4288
    CHARGE:  cpu time      0.1071: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    514.1666: real time    516.1361

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4325149E-05  (-0.9490784E-06)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796606
  -Hartree energ DENC   =      -716.99727326
  -exchange      EXHF   =        33.38305054
  -V(xc)+E(xc)   XCENC  =       -83.51723691
  PAW double counting   =    101660.87659299  -101559.92611727
  entropy T*S    EENTRO =         0.00190582
  eigenvalues    EBANDS =       -34.92910605
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883589 eV

  energy without entropy =      -13.89074171  energy(sigma->0) =      -13.88947116
  exchange ACFDT corr.  =        -0.00171177  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0635


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8123       2 -69.7045       3 -69.7540       4 -69.7065       5 -69.8273
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407090860

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0210      0.00000
     15      16.0255      0.00000
     16      16.0316      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1389      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2730      0.00000
     16      12.6245      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6512      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.7057      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6508      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4246      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5182      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5083      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5568      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5340      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5441      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4082      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2808     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2876     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2758     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2909     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6392     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6383     -0.00000
 Fermi energy:         3.2407090860

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9226      1.00000
      2      -9.9521      1.00000
      3      -8.5802      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0211      0.00000
     15      16.0247      0.00000
     16      16.0317      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6750      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7997      0.00000
     15      13.5921      0.00000
     16      14.1384      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6221      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9320      1.00000
      2      -8.9587      1.00000
      3      -7.5817      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3730     -0.00000
     11       8.7574      0.00000
     12       9.2689      0.00000
     13       9.7166      0.00000
     14      10.8017      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6929      1.00000
      2      -7.7156      1.00000
      3      -6.3323      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9963     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3368     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8863      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6503      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.6553      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9551      1.00000
      2      -5.9714      1.00000
      3      -4.5814      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1586      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4631     -0.00000
     11       5.7491     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9685      0.00000
     16      10.8584      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4242      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2559      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7149      1.00000
      2      -3.7264      1.00000
      3      -2.3502      1.00000
      4      -1.9847      1.00000
      5      -1.0872      1.00000
      6      -0.5381      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6759     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4562      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5399      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5458      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1797      1.00000
      2      -9.2071      1.00000
      3      -7.8314      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9453      0.00000
     13      10.9853      0.00000
     14      11.5215      0.00000
     15      11.6814      0.00000
     16      12.5332      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1887      1.00000
      2      -8.2131      1.00000
      3      -6.8323      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0168     -0.00000
      9       6.7297     -0.00000
     10       7.2674     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7001      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9458      1.00000
      6       1.6228      1.00000
      7       3.1484      0.84765
      8       4.2114     -0.00000
      9       5.1622     -0.00000
     10       5.6031     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4772     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4079      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7102      1.00000
      2      -4.7235      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2910      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6941     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2329      1.00000
      2      -3.2069      1.00000
      3      -2.2408      1.00000
      4      -2.2389      1.00000
      5      -1.0940      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3501     -0.00000
     14       8.1773     -0.00000
     15       9.0454      0.00000
     16       9.3150      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9482      1.00000
      2      -6.9687      1.00000
      3      -5.5820      1.00000
      4      -3.7072      1.00000
      5      -1.1884      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4314     -0.00000
      9       5.8380     -0.00000
     10       6.4762     -0.00000
     11       6.7954     -0.00000
     12       7.3068     -0.00000
     13       7.7848     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8331      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2070      1.00000
      2      -5.2227      1.00000
      3      -3.8312      1.00000
      4      -1.9711      1.00000
      5       0.4548      1.00000
      6       1.8875      1.00000
      7       2.7660      1.00200
      8       3.5162     -0.03255
      9       4.4301     -0.00000
     10       4.5817     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2991     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2813     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9621      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2315      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75113
     10       4.0589     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7809     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2094      1.00000
      2      -3.2263      1.00000
      3      -1.8439      1.00000
      4      -0.0660      1.00000
      5       1.1852      1.00000
      6       1.1918      1.00000
      7       1.7553      1.00000
      8       2.1573      1.00000
      9       2.9194      1.02282
     10       3.4278     -0.01672
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8883     -0.00000
     16       7.9372     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6385     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7316      1.00000
      2      -1.7025      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3562      1.00000
      6       0.7255      1.00000
      7       0.9840      1.00000
      8       1.7607      1.00000
      9       2.3152      1.00000
     10       2.5780      1.00001
     11       3.9082     -0.00001
     12       5.2109     -0.00000
     13       5.4596     -0.00000
     14       5.6158     -0.00000
     15       7.3068     -0.00000
     16       7.6379     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.490  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.250 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    201.8766: real time    202.6581
    FORNL :  cpu time      0.0788: real time      0.0790
    FORCOR:  cpu time      1.1893: real time      1.1921
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.105E-06 0.171E-05 0.184E+03   0.503E-13 0.258E-13 -.183E+03   -.473E-06 -.224E-05 -.122E+01
   0.152E-06 -.240E-06 0.928E+02   0.136E-14 0.433E-14 -.929E+02   -.516E-06 0.272E-06 0.191E+00
   -.239E-05 0.101E-05 -.512E+00   -.152E-12 -.864E-13 0.522E+00   0.315E-05 -.124E-05 -.107E-01
   -.380E-06 0.165E-07 -.940E+02   0.148E-12 0.809E-13 0.939E+02   0.409E-06 0.199E-06 0.570E-01
   -.496E-06 0.220E-05 -.183E+03   -.432E-13 -.211E-13 0.182E+03   0.343E-06 -.267E-05 0.978E+00
 -----------------------------------------------------------------------------------------------
   -.278E-05 0.519E-05 0.140E-01   0.439E-14 0.346E-14 0.284E-13   0.291E-05 -.569E-05 -.694E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.091335
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.097861
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.002286
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.003065
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.007305
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001      0.007192


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883589 eV

  energy  without entropy=      -13.89074171  energy(sigma->0) =      -13.88947116
 
 d Force = 0.2974167E-09[-0.285E-09, 0.880E-09]  d Energy = 0.1698027E-06-0.170E-06
 d Force =-0.2849149E-04[-0.285E-04,-0.285E-04]  d Ewald  =-0.2849149E-04 0.432E-11


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


    POTLOK:  cpu time      1.1910: real time      1.1938


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




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


    WAVPRE:  cpu time      0.0034: real time      0.0497
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1900: real time      1.1927
    EDDIAG:  cpu time    258.6209: real time    259.6343
    CHARGE:  cpu time      0.1060: real time      0.1064
 writing wavefunctions
     LOOP+:  cpu time   3039.1910: real time   3051.1151


--------------------------------------- Iteration     36(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4187: real time      0.4201
    SETDIJ:  cpu time      0.7694: real time      0.7707
    TRIAL :  cpu time    256.1516: real time    257.1237
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1065: real time      0.1068
    --------------------------------------------
      LOOP:  cpu time    257.4503: real time    258.5640

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1554766E-03  (-0.7290231E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -717.00570174
  -exchange      EXHF   =        33.38309437
  -V(xc)+E(xc)   XCENC  =       -83.51722428
  PAW double counting   =    101660.69561010  -101559.74513484
  entropy T*S    EENTRO =         0.00189836
  eigenvalues    EBANDS =       -34.92056827
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88867609 eV

  energy without entropy =      -13.89057445  energy(sigma->0) =      -13.88930887
  exchange ACFDT corr.  =        -0.00170775  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4221: real time      0.4234
    SETDIJ:  cpu time      0.7682: real time      0.7696
    TRIAL :  cpu time    256.0553: real time    257.0189
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.3554: real time    258.3222

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9972519E-04  (-0.6993141E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.98798395
  -exchange      EXHF   =        33.38299939
  -V(xc)+E(xc)   XCENC  =       -83.51724815
  PAW double counting   =    101661.03599103  -101560.08551577
  entropy T*S    EENTRO =         0.00190895
  eigenvalues    EBANDS =       -34.93805332
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88857636 eV

  energy without entropy =      -13.89048531  energy(sigma->0) =      -13.88921268
  exchange ACFDT corr.  =        -0.00171588  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4198: real time      0.4212
    SETDIJ:  cpu time      0.7679: real time      0.7693
    TRIAL :  cpu time    256.4212: real time    257.3961
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.7187: real time    258.6968

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2296294E-03  (-0.1478285E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -717.00136465
  -exchange      EXHF   =        33.38307134
  -V(xc)+E(xc)   XCENC  =       -83.51723112
  PAW double counting   =    101660.79701017  -101559.84654351
  entropy T*S    EENTRO =         0.00190830
  eigenvalues    EBANDS =       -34.92499323
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880599 eV

  energy without entropy =      -13.89071429  energy(sigma->0) =      -13.88944209
  exchange ACFDT corr.  =        -0.00170982  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4219
    SETDIJ:  cpu time      0.7706: real time      0.7720
    TRIAL :  cpu time    255.8972: real time    256.9077
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    257.1981: real time    258.2119

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1298709E-04  (-0.8661229E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -717.00057776
  -exchange      EXHF   =        33.38306698
  -V(xc)+E(xc)   XCENC  =       -83.51723225
  PAW double counting   =    101660.78065517  -101559.83019082
  entropy T*S    EENTRO =         0.00190320
  eigenvalues    EBANDS =       -34.92578465
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881898 eV

  energy without entropy =      -13.89072218  energy(sigma->0) =      -13.88945338
  exchange ACFDT corr.  =        -0.00171019  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7681: real time      0.7694
    TRIAL :  cpu time    255.5525: real time    256.5579
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    256.8512: real time    257.8598

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1879878E-04  (-0.1015587E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.99412680
  -exchange      EXHF   =        33.38303194
  -V(xc)+E(xc)   XCENC  =       -83.51724077
  PAW double counting   =    101660.83531384  -101559.88483951
  entropy T*S    EENTRO =         0.00190733
  eigenvalues    EBANDS =       -34.93217815
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880018 eV

  energy without entropy =      -13.89070751  energy(sigma->0) =      -13.88943595
  exchange ACFDT corr.  =        -0.00171314  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4219
    SETDIJ:  cpu time      0.7678: real time      0.7692
    TRIAL :  cpu time    255.3419: real time    256.3208
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.6402: real time    257.6224

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3112574E-04  (-0.4504661E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.99934254
  -exchange      EXHF   =        33.38305994
  -V(xc)+E(xc)   XCENC  =       -83.51723410
  PAW double counting   =    101660.70784258  -101559.75737273
  entropy T*S    EENTRO =         0.00190682
  eigenvalues    EBANDS =       -34.92702785
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883130 eV

  energy without entropy =      -13.89073813  energy(sigma->0) =      -13.88946691
  exchange ACFDT corr.  =        -0.00171075  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4199: real time      0.4212
    SETDIJ:  cpu time      0.7719: real time      0.7734
    TRIAL :  cpu time    255.3147: real time    256.2811
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    256.6162: real time    257.5860

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3582693E-05  (-0.1009641E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.99870555
  -exchange      EXHF   =        33.38305639
  -V(xc)+E(xc)   XCENC  =       -83.51723503
  PAW double counting   =    101660.68968729  -101559.73921423
  entropy T*S    EENTRO =         0.00190499
  eigenvalues    EBANDS =       -34.92766665
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883489 eV

  energy without entropy =      -13.89073988  energy(sigma->0) =      -13.88946988
  exchange ACFDT corr.  =        -0.00171105  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4219
    SETDIJ:  cpu time      0.7704: real time      0.7718
    TRIAL :  cpu time    254.9145: real time    255.8904
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1076: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.2155: real time    257.1947

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3176224E-05  (-0.1460446E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.99641271
  -exchange      EXHF   =        33.38304390
  -V(xc)+E(xc)   XCENC  =       -83.51723805
  PAW double counting   =    101660.72263756  -101559.77216128
  entropy T*S    EENTRO =         0.00190657
  eigenvalues    EBANDS =       -34.92994218
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883171 eV

  energy without entropy =      -13.89073828  energy(sigma->0) =      -13.88946723
  exchange ACFDT corr.  =        -0.00171211  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     36(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4214
    SETDIJ:  cpu time      0.7673: real time      0.7687
    TRIAL :  cpu time    255.4273: real time    256.4325
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    256.7567: real time    257.7622
    CHARGE:  cpu time      0.1068: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    513.4806: real time    515.4945

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4159478E-05  (-0.1039726E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63795181
  -Hartree energ DENC   =      -716.99848274
  -exchange      EXHF   =        33.38305350
  -V(xc)+E(xc)   XCENC  =       -83.51723537
  PAW double counting   =    101660.70306456  -101559.75259026
  entropy T*S    EENTRO =         0.00190629
  eigenvalues    EBANDS =       -34.92788988
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883587 eV

  energy without entropy =      -13.89074216  energy(sigma->0) =      -13.88947130
  exchange ACFDT corr.  =        -0.00171119  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1327


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.7985       2 -69.6943       3 -69.7538       4 -69.7164       5 -69.8411
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407065493

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5806      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0213      0.00000
     15      16.0264      0.00000
     16      16.0328      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1391      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1391      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1395      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2729      0.00000
     16      12.6246      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6270      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6514      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6929      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6511      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4169      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5180      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.5072      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5566      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5339      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5426      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4077      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4078      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3145      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4761     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4761     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4762     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8328      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2801     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2862     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2756     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2890     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6390     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6382     -0.00000
 Fermi energy:         3.2407065493

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9219      1.00000
      2      -9.9521      1.00000
      3      -8.5806      1.00000
      4      -6.7169      1.00000
      5      -4.2260      1.00000
      6      -1.5027      1.00000
      7       1.7988      1.00000
      8       4.6979     -0.00000
      9       5.3689     -0.00000
     10       7.9195     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2204      0.00000
     14      16.0214      0.00000
     15      16.0245      0.00000
     16      16.0330      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1392      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1391      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6743      1.00000
      2      -9.7038      1.00000
      3      -8.3310      1.00000
      4      -6.4655      1.00000
      5      -3.9692      1.00000
      6      -1.2519      1.00000
      7       2.0530      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1186     -0.00000
     11       8.2168     -0.00000
     12      12.0250      0.00000
     13      12.3134      0.00000
     14      12.8002      0.00000
     15      13.5922      0.00000
     16      14.1391      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6222      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6266      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9314      1.00000
      2      -8.9587      1.00000
      3      -7.5821      1.00000
      4      -5.7119      1.00000
      5      -3.2020      1.00000
      6      -0.5030      1.00000
      7       2.7874      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3733     -0.00000
     11       8.7574      0.00000
     12       9.2692      0.00000
     13       9.7166      0.00000
     14      10.8012      0.00000
     15      12.2727      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6923      1.00000
      2      -7.7156      1.00000
      3      -6.3327      1.00000
      4      -4.4576      1.00000
      5      -1.9363      1.00000
      6       0.7188      1.00000
      7       3.7739     -0.00053
      8       4.9969     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1828     -0.00000
     12       7.3367     -0.00000
     13       8.7962      0.00000
     14       9.7313      0.00000
     15       9.9812      0.00000
     16      10.8864      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6508      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.6546      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9544      1.00000
      2      -5.9714      1.00000
      3      -4.5818      1.00000
      4      -2.7124      1.00000
      5      -0.2588      1.00000
      6       1.1592      1.00000
      7       2.0884      1.00000
      8       2.8640      1.01142
      9       3.7680     -0.00061
     10       5.4630     -0.00000
     11       5.7490     -0.00000
     12       7.7453     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9686      0.00000
     16      10.8469      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4165      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.2566      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7143      1.00000
      2      -3.7264      1.00000
      3      -2.3506      1.00000
      4      -1.9840      1.00000
      5      -1.0873      1.00000
      6      -0.5383      1.00000
      7       0.5741      1.00000
      8       2.1922      1.00000
      9       2.5968      1.00003
     10       4.6681     -0.00000
     11       4.8962     -0.00000
     12       7.1663     -0.00000
     13       7.6759     -0.00000
     14       9.8158      0.00000
     15       9.9942      0.00000
     16      10.4505      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5387      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5456      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1790      1.00000
      2      -9.2071      1.00000
      3      -7.8318      1.00000
      4      -5.9631      1.00000
      5      -3.4573      1.00000
      6      -0.7518      1.00000
      7       2.5482      1.00001
      8       5.3403     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5681     -0.00000
     12      10.9460      0.00000
     13      10.9860      0.00000
     14      11.5212      0.00000
     15      11.6817      0.00000
     16      12.5326      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1880      1.00000
      2      -8.2131      1.00000
      3      -6.8327      1.00000
      4      -4.9591      1.00000
      5      -2.4401      1.00000
      6       0.2377      1.00000
      7       3.4708     -0.03453
      8       6.0169     -0.00000
      9       6.7297     -0.00000
     10       7.2679     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8011      0.00000
     16      10.2439      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6995      1.00000
      2      -6.7195      1.00000
      3      -5.3322      1.00000
      4      -3.4575      1.00000
      5      -0.9457      1.00000
      6       1.6229      1.00000
      7       3.1489      0.84767
      8       4.2116     -0.00000
      9       5.1620     -0.00000
     10       5.6027     -0.00000
     11       7.1587     -0.00000
     12       7.5104     -0.00000
     13       8.0502     -0.00000
     14       8.4777     -0.00000
     15       9.0284      0.00000
     16       9.6544      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4077      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7096      1.00000
      2      -4.7234      1.00000
      3      -3.3342      1.00000
      4      -1.4970      1.00000
      5      -0.2903      1.00000
      6       0.4675      1.00000
      7       1.3393      1.00000
      8       2.4126      1.00000
      9       3.7942     -0.00032
     10       4.0903     -0.00000
     11       6.2671     -0.00000
     12       6.7397     -0.00000
     13       7.6945     -0.00000
     14       8.4542     -0.00000
     15       8.9438      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2321      1.00000
      2      -3.2064      1.00000
      3      -2.2406      1.00000
      4      -2.2389      1.00000
      5      -1.0946      1.00000
      6      -0.6983      1.00000
      7       0.8165      1.00000
      8       1.5818      1.00000
      9       3.6085     -0.01298
     10       3.7659     -0.00065
     11       5.8266     -0.00000
     12       6.2249     -0.00000
     13       7.3506     -0.00000
     14       8.1773     -0.00000
     15       9.0456      0.00000
     16       9.3144      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4761     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4058      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4761     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9475      1.00000
      2      -6.9687      1.00000
      3      -5.5824      1.00000
      4      -3.7073      1.00000
      5      -1.1883      1.00000
      6       1.4359      1.00000
      7       4.3424     -0.00000
      8       5.4321     -0.00000
      9       5.8385     -0.00000
     10       6.4762     -0.00000
     11       6.7956     -0.00000
     12       7.3064     -0.00000
     13       7.7844     -0.00000
     14       7.9009     -0.00000
     15       8.0129     -0.00000
     16       9.4057      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8331      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2063      1.00000
      2      -5.2227      1.00000
      3      -3.8316      1.00000
      4      -1.9712      1.00000
      5       0.4549      1.00000
      6       1.8880      1.00000
      7       2.7660      1.00200
      8       3.5164     -0.03255
      9       4.4297     -0.00000
     10       4.5823     -0.00000
     11       5.4822     -0.00000
     12       6.0610     -0.00000
     13       6.6793     -0.00000
     14       7.1656     -0.00000
     15       8.4664     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2748     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2964     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2805     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9614      1.00000
      2      -2.9785      1.00000
      3      -1.6085      1.00000
      4      -1.2308      1.00000
      5      -0.3543      1.00000
      6       0.1788      1.00000
      7       1.3006      1.00000
      8       2.8171      1.00535
      9       3.1781      0.75112
     10       4.0594     -0.00000
     11       4.8259     -0.00000
     12       5.6193     -0.00000
     13       5.8962     -0.00000
     14       6.7806     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2088      1.00000
      2      -3.2262      1.00000
      3      -1.8443      1.00000
      4      -0.0661      1.00000
      5       1.1857      1.00000
      6       1.1927      1.00000
      7       1.7552      1.00000
      8       2.1572      1.00000
      9       2.9198      1.02281
     10       3.4269     -0.01673
     11       4.2055     -0.00000
     12       5.3080     -0.00000
     13       5.3516     -0.00000
     14       6.0188     -0.00000
     15       7.8883     -0.00000
     16       7.9374     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6384     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6379     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7308      1.00000
      2      -1.7020      1.00000
      3      -0.7778      1.00000
      4      -0.7382      1.00000
      5       0.3556      1.00000
      6       0.7252      1.00000
      7       0.9847      1.00000
      8       1.7604      1.00000
      9       2.3153      1.00000
     10       2.5777      1.00001
     11       3.9079     -0.00001
     12       5.2111     -0.00000
     13       5.4592     -0.00000
     14       5.6160     -0.00000
     15       7.3069     -0.00000
     16       7.6380     -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
  8.063  13.764  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.764  23.489  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.063  13.764   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.764  23.489   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
116.252 -62.090   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.090  33.163  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328  -0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013  -0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.2807: real time    203.0122
    FORNL :  cpu time      0.0787: real time      0.0789
    FORCOR:  cpu time      1.1871: real time      1.1899
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.114E-06 0.139E-05 0.184E+03   0.506E-13 0.260E-13 -.183E+03   -.524E-06 -.192E-05 -.122E+01
   0.283E-06 -.659E-07 0.928E+02   0.537E-14 0.571E-14 -.929E+02   -.867E-06 0.131E-06 0.191E+00
   -.131E-05 0.112E-05 -.519E+00   -.151E-12 -.821E-13 0.522E+00   0.200E-05 -.135E-05 -.106E-01
   0.354E-06 0.206E-07 -.940E+02   0.145E-12 0.791E-13 0.939E+02   -.545E-06 0.222E-06 0.573E-01
   -.271E-06 0.173E-05 -.183E+03   -.451E-13 -.253E-13 0.182E+03   0.400E-07 -.221E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.210E-06 0.479E-05 -.139E-02   0.439E-14 0.346E-14 -.284E-13   0.107E-06 -.512E-05 -.581E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.087702
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.096182
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.005957
      2.85746      1.64976      6.92512        -0.000000      0.000000      0.001208
      0.00000      0.00000      9.30417         0.000000     -0.000000     -0.003731
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.007017


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883587 eV

  energy  without entropy=      -13.89074216  energy(sigma->0) =      -13.88947130
 
 d Force =-0.1369885E-09[-0.416E-09, 0.142E-09]  d Energy =-0.1757780E-07 0.174E-07
 d Force = 0.1424574E-04[ 0.142E-04, 0.142E-04]  d Ewald  = 0.1424574E-04 0.267E-11


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


    POTLOK:  cpu time      1.1905: real time      1.1933


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




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


    WAVPRE:  cpu time      0.0034: real time      0.3566
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0569: real time      0.0571
    POTLOK:  cpu time      1.1895: real time      1.1923
    EDDIAG:  cpu time    257.6228: real time    258.6367
    CHARGE:  cpu time      0.1066: real time      0.1070
 writing wavefunctions
     LOOP+:  cpu time   3033.8241: real time   3046.2065


--------------------------------------- Iteration     37(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4185: real time      0.4199
    SETDIJ:  cpu time      0.7672: real time      0.7686
    TRIAL :  cpu time    256.2278: real time    257.1895
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1067: real time      0.1071
    --------------------------------------------
      LOOP:  cpu time    257.5244: real time    258.6116

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1359094E-03  (-0.6396127E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -716.99050595
  -exchange      EXHF   =        33.38301311
  -V(xc)+E(xc)   XCENC  =       -83.51724508
  PAW double counting   =    101660.85712064  -101559.90664517
  entropy T*S    EENTRO =         0.00191357
  eigenvalues    EBANDS =       -34.93568014
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869580 eV

  energy without entropy =      -13.89060937  energy(sigma->0) =      -13.88933366
  exchange ACFDT corr.  =        -0.00171493  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7711: real time      0.7726
    TRIAL :  cpu time    254.4911: real time    255.4689
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1069: real time      0.1072
    --------------------------------------------
      LOOP:  cpu time    255.7919: real time    256.7730

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8710409E-04  (-0.6123159E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -717.00757904
  -exchange      EXHF   =        33.38310375
  -V(xc)+E(xc)   XCENC  =       -83.51722139
  PAW double counting   =    101660.52365106  -101559.57317576
  entropy T*S    EENTRO =         0.00190336
  eigenvalues    EBANDS =       -34.91864757
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88860870 eV

  energy without entropy =      -13.89051206  energy(sigma->0) =      -13.88924315
  exchange ACFDT corr.  =        -0.00170715  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7695: real time      0.7710
    TRIAL :  cpu time    255.5376: real time    256.5156
    CORREC:  cpu time      0.0022: real time      0.0023
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    256.8375: real time    257.8188

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2011992E-03  (-0.1270517E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007640 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -716.99450026
  -exchange      EXHF   =        33.38303431
  -V(xc)+E(xc)   XCENC  =       -83.51724042
  PAW double counting   =    101660.83554942  -101559.88507310
  entropy T*S    EENTRO =         0.00190403
  eigenvalues    EBANDS =       -34.93182988
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880990 eV

  energy without entropy =      -13.89071392  energy(sigma->0) =      -13.88944457
  exchange ACFDT corr.  =        -0.00171299  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4216
    SETDIJ:  cpu time      0.7730: real time      0.7744
    TRIAL :  cpu time    255.4309: real time    256.3892
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1074: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    256.7341: real time    257.6955

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1118375E-04  (-0.7622746E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -716.99538837
  -exchange      EXHF   =        33.38303847
  -V(xc)+E(xc)   XCENC  =       -83.51723930
  PAW double counting   =    101660.86833148  -101559.91785502
  entropy T*S    EENTRO =         0.00190886
  eigenvalues    EBANDS =       -34.93095905
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882108 eV

  energy without entropy =      -13.89072995  energy(sigma->0) =      -13.88945737
  exchange ACFDT corr.  =        -0.00171267  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4200: real time      0.4213
    SETDIJ:  cpu time      0.7701: real time      0.7716
    TRIAL :  cpu time    255.6364: real time    256.6034
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.9365: real time    257.9069

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1627228E-04  (-0.8851725E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -717.00152830
  -exchange      EXHF   =        33.38307051
  -V(xc)+E(xc)   XCENC  =       -83.51723140
  PAW double counting   =    101660.79449280  -101559.84402641
  entropy T*S    EENTRO =         0.00190497
  eigenvalues    EBANDS =       -34.92483755
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88880481 eV

  energy without entropy =      -13.89070978  energy(sigma->0) =      -13.88943980
  exchange ACFDT corr.  =        -0.00170987  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4219
    SETDIJ:  cpu time      0.7698: real time      0.7712
    TRIAL :  cpu time    255.2840: real time    256.2466
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.5843: real time    257.5501

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2727956E-04  (-0.3704824E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007639 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -716.99655190
  -exchange      EXHF   =        33.38304440
  -V(xc)+E(xc)   XCENC  =       -83.51723787
  PAW double counting   =    101660.88056832  -101559.93009233
  entropy T*S    EENTRO =         0.00190539
  eigenvalues    EBANDS =       -34.92981437
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883209 eV

  energy without entropy =      -13.89073748  energy(sigma->0) =      -13.88946722
  exchange ACFDT corr.  =        -0.00171212  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     37(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4206: real time      0.4220
    SETDIJ:  cpu time      0.7692: real time      0.7706
    TRIAL :  cpu time    255.5336: real time    256.5020
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    255.7906: real time    256.7674
    CHARGE:  cpu time      0.1065: real time      0.1069
    --------------------------------------------
      LOOP:  cpu time    512.6231: real time    514.5714

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2978309E-05  (-0.9048805E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007638 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.63796243
  -Hartree energ DENC   =      -716.99700988
  -exchange      EXHF   =        33.38305854
  -V(xc)+E(xc)   XCENC  =       -83.51723729
  PAW double counting   =    101660.88098001  -101559.93050424
  entropy T*S    EENTRO =         0.00190710
  eigenvalues    EBANDS =       -34.92936285
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883507 eV

  energy without entropy =      -13.89074217  energy(sigma->0) =      -13.88947077
  exchange ACFDT corr.  =        -0.00171188  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0529


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8148       2 -69.7064       3 -69.7540       4 -69.7046       5 -69.8248
 
 
 
 E-fermi :   3.2407     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2407015921

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0253      0.00000
     16      16.0314      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1386      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6267      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2729      0.00000
     16      12.6244      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6269      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6503      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6845      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6501      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4098      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5179      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.5062      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9451      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5546      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5338      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5431      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4077      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4079      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8328      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2796     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2852     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2755     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2876     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6389     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6382     -0.00000
 Fermi energy:         3.2407015921

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9227      1.00000
      2      -9.9521      1.00000
      3      -8.5801      1.00000
      4      -6.7168      1.00000
      5      -4.2261      1.00000
      6      -1.5028      1.00000
      7       1.7990      1.00000
      8       4.6980     -0.00000
      9       5.3689     -0.00000
     10       7.9194     -0.00000
     11       8.0215     -0.00000
     12      11.8932      0.00000
     13      12.2205      0.00000
     14      16.0209      0.00000
     15      16.0246      0.00000
     16      16.0314      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6751      1.00000
      2      -9.7038      1.00000
      3      -8.3306      1.00000
      4      -6.4654      1.00000
      5      -3.9694      1.00000
      6      -1.2520      1.00000
      7       2.0531      1.00000
      8       4.9158     -0.00000
      9       5.5765     -0.00000
     10       8.1185     -0.00000
     11       8.2168     -0.00000
     12      12.0249      0.00000
     13      12.3134      0.00000
     14      12.7996      0.00000
     15      13.5921      0.00000
     16      14.1383      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6219      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9322      1.00000
      2      -8.9587      1.00000
      3      -7.5816      1.00000
      4      -5.7118      1.00000
      5      -3.2021      1.00000
      6      -0.5031      1.00000
      7       2.7875      1.00308
      8       5.5390     -0.00000
      9       6.1899     -0.00000
     10       8.3729     -0.00000
     11       8.7574      0.00000
     12       9.2688      0.00000
     13       9.7165      0.00000
     14      10.8018      0.00000
     15      12.2728      0.00000
     16      12.6265      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6931      1.00000
      2      -7.7156      1.00000
      3      -6.3322      1.00000
      4      -4.4575      1.00000
      5      -1.9364      1.00000
      6       0.7187      1.00000
      7       3.7739     -0.00053
      8       4.9962     -0.00000
      9       5.9598     -0.00000
     10       6.7306     -0.00000
     11       7.1830     -0.00000
     12       7.3369     -0.00000
     13       8.7963      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6498      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.6528      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9552      1.00000
      2      -5.9714      1.00000
      3      -4.5813      1.00000
      4      -2.7123      1.00000
      5      -0.2590      1.00000
      6       1.1585      1.00000
      7       2.0884      1.00000
      8       2.8638      1.01142
      9       3.7685     -0.00061
     10       5.4632     -0.00000
     11       5.7492     -0.00000
     12       7.7452     -0.00000
     13       8.2266     -0.00000
     14       8.6938     -0.00000
     15       9.9684      0.00000
     16      10.8378      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4093      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.2557      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7151      1.00000
      2      -3.7264      1.00000
      3      -2.3501      1.00000
      4      -1.9849      1.00000
      5      -1.0872      1.00000
      6      -0.5380      1.00000
      7       0.5745      1.00000
      8       2.1922      1.00000
      9       2.5969      1.00003
     10       4.6680     -0.00000
     11       4.8961     -0.00000
     12       7.1662     -0.00000
     13       7.6760     -0.00000
     14       9.8159      0.00000
     15       9.9941      0.00000
     16      10.4451      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5393      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5445      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1798      1.00000
      2      -9.2071      1.00000
      3      -7.8313      1.00000
      4      -5.9630      1.00000
      5      -3.4574      1.00000
      6      -0.7519      1.00000
      7       2.5483      1.00001
      8       5.3404     -0.00000
      9       5.9883     -0.00000
     10       8.4960     -0.00000
     11       8.5682     -0.00000
     12      10.9452      0.00000
     13      10.9851      0.00000
     14      11.5216      0.00000
     15      11.6813      0.00000
     16      12.5333      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1888      1.00000
      2      -8.2131      1.00000
      3      -6.8322      1.00000
      4      -4.9590      1.00000
      5      -2.4402      1.00000
      6       0.2376      1.00000
      7       3.4709     -0.03453
      8       6.0167     -0.00000
      9       6.7297     -0.00000
     10       7.2673     -0.00000
     11       7.9083     -0.00000
     12       8.9480      0.00000
     13       9.1565      0.00000
     14       9.6023      0.00000
     15       9.8009      0.00000
     16      10.2440      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.7003      1.00000
      2      -6.7195      1.00000
      3      -5.3317      1.00000
      4      -3.4574      1.00000
      5      -0.9459      1.00000
      6       1.6228      1.00000
      7       3.1482      0.84770
      8       4.2114     -0.00000
      9       5.1623     -0.00000
     10       5.6032     -0.00000
     11       7.1588     -0.00000
     12       7.5103     -0.00000
     13       8.0502     -0.00000
     14       8.4771     -0.00000
     15       9.0284      0.00000
     16       9.6543      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4078      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7104      1.00000
      2      -4.7234      1.00000
      3      -3.3337      1.00000
      4      -1.4969      1.00000
      5      -0.2911      1.00000
      6       0.4675      1.00000
      7       1.3394      1.00000
      8       2.4129      1.00000
      9       3.7941     -0.00032
     10       4.0903     -0.00000
     11       6.2670     -0.00000
     12       6.7397     -0.00000
     13       7.6940     -0.00000
     14       8.4543     -0.00000
     15       8.9436      0.00000
     16       9.4076      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2331      1.00000
      2      -3.2070      1.00000
      3      -2.2408      1.00000
      4      -2.2388      1.00000
      5      -1.0939      1.00000
      6      -0.6979      1.00000
      7       0.8166      1.00000
      8       1.5819      1.00000
      9       3.6085     -0.01298
     10       3.7657     -0.00065
     11       5.8265     -0.00000
     12       6.2248     -0.00000
     13       7.3500     -0.00000
     14       8.1773     -0.00000
     15       9.0453      0.00000
     16       9.3151      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4060      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9483      1.00000
      2      -6.9687      1.00000
      3      -5.5819      1.00000
      4      -3.7072      1.00000
      5      -1.1885      1.00000
      6       1.4358      1.00000
      7       4.3424     -0.00000
      8       5.4313     -0.00000
      9       5.8379     -0.00000
     10       6.4762     -0.00000
     11       6.7953     -0.00000
     12       7.3069     -0.00000
     13       7.7849     -0.00000
     14       7.9009     -0.00000
     15       8.0132     -0.00000
     16       9.4059      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8329      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2071      1.00000
      2      -5.2227      1.00000
      3      -3.8311      1.00000
      4      -1.9711      1.00000
      5       0.4547      1.00000
      6       1.8873      1.00000
      7       2.7660      1.00200
      8       3.5161     -0.03255
      9       4.4302     -0.00000
     10       4.5816     -0.00000
     11       5.4822     -0.00000
     12       6.0612     -0.00000
     13       6.6796     -0.00000
     14       7.1659     -0.00000
     15       8.4665     -0.00000
     16       8.8327      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2752     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2750     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2749     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2946     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2801     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9622      1.00000
      2      -2.9785      1.00000
      3      -1.6081      1.00000
      4      -1.2317      1.00000
      5      -0.3543      1.00000
      6       0.1790      1.00000
      7       1.3010      1.00000
      8       2.8170      1.00535
      9       3.1781      0.75110
     10       4.0588     -0.00000
     11       4.8260     -0.00000
     12       5.6191     -0.00000
     13       5.8961     -0.00000
     14       6.7810     -0.00000
     15       7.9245     -0.00000
     16       8.2751     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2096      1.00000
      2      -3.2263      1.00000
      3      -1.8438      1.00000
      4      -0.0660      1.00000
      5       1.1850      1.00000
      6       1.1916      1.00000
      7       1.7554      1.00000
      8       2.1574      1.00000
      9       2.9193      1.02281
     10       3.4280     -0.01676
     11       4.2057     -0.00000
     12       5.3079     -0.00000
     13       5.3517     -0.00000
     14       6.0189     -0.00000
     15       7.8884     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6383     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7318      1.00000
      2      -1.7026      1.00000
      3      -0.7778      1.00000
      4      -0.7384      1.00000
      5       0.3563      1.00000
      6       0.7255      1.00000
      7       0.9838      1.00000
      8       1.7608      1.00000
      9       2.3152      1.00000
     10       2.5781      1.00001
     11       3.9083     -0.00001
     12       5.2108     -0.00000
     13       5.4596     -0.00000
     14       5.6157     -0.00000
     15       7.3068     -0.00000
     16       7.6378     -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
  8.064  13.765  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.765  23.491  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.064  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.491   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.256 -62.093   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.093  33.164  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.114  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.114   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0009: real time      0.0010
    FORHF :  cpu time    202.4795: real time    203.2144
    FORNL :  cpu time      0.0791: real time      0.0793
    FORCOR:  cpu time      1.1854: real time      1.1881
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.101E-06 0.130E-05 0.184E+03   0.507E-13 0.258E-13 -.183E+03   -.514E-06 -.177E-05 -.122E+01
   -.391E-06 0.325E-06 0.928E+02   0.317E-14 0.450E-14 -.929E+02   -.194E-06 -.296E-06 0.191E+00
   -.311E-05 0.186E-05 -.531E+00   -.152E-12 -.877E-13 0.522E+00   0.441E-05 -.212E-05 -.108E-01
   -.476E-06 0.833E-06 -.940E+02   0.141E-12 0.877E-13 0.939E+02   0.350E-06 -.693E-06 0.575E-01
   -.179E-05 0.236E-05 -.183E+03   -.386E-13 -.268E-13 0.182E+03   0.170E-05 -.284E-05 0.979E+00
 -----------------------------------------------------------------------------------------------
   -.497E-05 0.765E-05 -.292E-01   0.439E-14 0.346E-14 -.284E-13   0.576E-05 -.771E-05 -.520E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.080549
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.092919
      1.42873      0.82488      4.62970         0.000001     -0.000000     -0.013314
      2.85746      1.64976      6.92512        -0.000000      0.000000     -0.002393
      0.00000      0.00000      9.30417         0.000000     -0.000000      0.003336
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000000     -0.034145


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883507 eV

  energy  without entropy=      -13.89074217  energy(sigma->0) =      -13.88947077
 
 d Force = 0.7217630E-09[ 0.113E-08, 0.310E-09]  d Energy =-0.8044934E-06 0.805E-06
 d Force =-0.1061497E-04[-0.106E-04,-0.106E-04]  d Ewald  =-0.1061497E-04-0.171E-11


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


    POTLOK:  cpu time      1.1874: real time      1.1902


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




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


    WAVPRE:  cpu time      0.0037: real time      0.0698
    FEWALD:  cpu time      0.0002: real time      0.0002
    ORTHCH:  cpu time      0.0567: real time      0.0569
    POTLOK:  cpu time      1.1900: real time      1.1928
    EDDIAG:  cpu time    257.5609: real time    258.5539
    CHARGE:  cpu time      0.1071: real time      0.1075
 writing wavefunctions
     LOOP+:  cpu time   2517.5895: real time   2527.5660


--------------------------------------- Iteration     38(   1)  ---------------------------------------


    POTLOK:  cpu time      0.4183: real time      0.4197
    SETDIJ:  cpu time      0.7678: real time      0.7692
    TRIAL :  cpu time    256.2023: real time    257.1741
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.5000: real time    258.6375

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3322577E-02  (-0.1493569E-01)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007654 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.83822321
  -exchange      EXHF   =        33.38268833
  -V(xc)+E(xc)   XCENC  =       -83.51731750
  PAW double counting   =    101657.75584697  -101556.80536068
  entropy T*S    EENTRO =         0.00190248
  eigenvalues    EBANDS =       -34.96199761
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88550951 eV

  energy without entropy =      -13.88741199  energy(sigma->0) =      -13.88614367
  exchange ACFDT corr.  =        -0.00174437  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   2)  ---------------------------------------


    POTLOK:  cpu time      0.4211: real time      0.4225
    SETDIJ:  cpu time      0.7711: real time      0.7725
    TRIAL :  cpu time    256.1804: real time    257.1594
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    257.4823: real time    258.4645

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2009146E-02  (-0.1422232E-01)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0007678 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.92132739
  -exchange      EXHF   =        33.38313895
  -V(xc)+E(xc)   XCENC  =       -83.51719531
  PAW double counting   =    101655.89758207  -101554.94714420
  entropy T*S    EENTRO =         0.00185030
  eigenvalues    EBANDS =       -34.87747311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88350036 eV

  energy without entropy =      -13.88535066  energy(sigma->0) =      -13.88411713
  exchange ACFDT corr.  =        -0.00170672  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   3)  ---------------------------------------


    POTLOK:  cpu time      0.4215: real time      0.4229
    SETDIJ:  cpu time      0.7683: real time      0.7697
    TRIAL :  cpu time    255.6472: real time    256.6581
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1071: real time      0.1075
    --------------------------------------------
      LOOP:  cpu time    256.9466: real time    257.9607

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4704337E-02  (-0.2776729E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007683 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.85820994
  -exchange      EXHF   =        33.38279666
  -V(xc)+E(xc)   XCENC  =       -83.51727492
  PAW double counting   =    101656.84959855  -101555.89910250
  entropy T*S    EENTRO =         0.00185425
  eigenvalues    EBANDS =       -34.94487900
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88820470 eV

  energy without entropy =      -13.89005896  energy(sigma->0) =      -13.88882279
  exchange ACFDT corr.  =        -0.00173619  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   4)  ---------------------------------------


    POTLOK:  cpu time      0.4212: real time      0.4226
    SETDIJ:  cpu time      0.7699: real time      0.7713
    TRIAL :  cpu time    256.5318: real time    257.5347
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1066: real time      0.1070
    --------------------------------------------
      LOOP:  cpu time    257.8320: real time    258.8381

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2459957E-03  (-0.1810925E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007680 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87026380
  -exchange      EXHF   =        33.38281731
  -V(xc)+E(xc)   XCENC  =       -83.51726367
  PAW double counting   =    101656.46658158  -101555.51610384
  entropy T*S    EENTRO =         0.00187876
  eigenvalues    EBANDS =       -34.93308867
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88845070 eV

  energy without entropy =      -13.89032946  energy(sigma->0) =      -13.88907695
  exchange ACFDT corr.  =        -0.00173356  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   5)  ---------------------------------------


    POTLOK:  cpu time      0.4208: real time      0.4222
    SETDIJ:  cpu time      0.7704: real time      0.7717
    TRIAL :  cpu time    255.9609: real time    256.9302
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    257.2619: real time    258.2343

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3678586E-03  (-0.2054821E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007685 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.90330954
  -exchange      EXHF   =        33.38294690
  -V(xc)+E(xc)   XCENC  =       -83.51722914
  PAW double counting   =    101655.69058800  -101554.74010433
  entropy T*S    EENTRO =         0.00185996
  eigenvalues    EBANDS =       -34.89986965
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88808284 eV

  energy without entropy =      -13.88994280  energy(sigma->0) =      -13.88870283
  exchange ACFDT corr.  =        -0.00171930  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   6)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7702: real time      0.7716
    TRIAL :  cpu time    255.6297: real time    256.5915
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    256.9301: real time    257.8951

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6420498E-03  (-0.7778218E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007682 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87546010
  -exchange      EXHF   =        33.38277450
  -V(xc)+E(xc)   XCENC  =       -83.51727597
  PAW double counting   =    101656.26386912  -101555.31338176
  entropy T*S    EENTRO =         0.00186172
  eigenvalues    EBANDS =       -34.92812679
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88872489 eV

  energy without entropy =      -13.89058661  energy(sigma->0) =      -13.88934546
  exchange ACFDT corr.  =        -0.00173009  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   7)  ---------------------------------------


    POTLOK:  cpu time      0.4192: real time      0.4205
    SETDIJ:  cpu time      0.7689: real time      0.7703
    TRIAL :  cpu time    256.0507: real time    257.0259
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1072: real time      0.1076
    --------------------------------------------
      LOOP:  cpu time    257.3485: real time    258.3269

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6364257E-04  (-0.2200857E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007679 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87265083
  -exchange      EXHF   =        33.38274706
  -V(xc)+E(xc)   XCENC  =       -83.51728541
  PAW double counting   =    101656.38711446  -101555.43662327
  entropy T*S    EENTRO =         0.00187022
  eigenvalues    EBANDS =       -34.93096842
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88878853 eV

  energy without entropy =      -13.89065875  energy(sigma->0) =      -13.88941194
  exchange ACFDT corr.  =        -0.00172928  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   8)  ---------------------------------------


    POTLOK:  cpu time      0.4202: real time      0.4217
    SETDIJ:  cpu time      0.7646: real time      0.7660
    TRIAL :  cpu time    256.5045: real time    257.4760
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    257.7994: real time    258.7742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6035518E-04  (-0.2922835E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007680 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.88138400
  -exchange      EXHF   =        33.38278571
  -V(xc)+E(xc)   XCENC  =       -83.51727722
  PAW double counting   =    101656.32322623  -101555.37272241
  entropy T*S    EENTRO =         0.00186330
  eigenvalues    EBANDS =       -34.92224286
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88872818 eV

  energy without entropy =      -13.89059148  energy(sigma->0) =      -13.88934928
  exchange ACFDT corr.  =        -0.00172454  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(   9)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7684: real time      0.7697
    TRIAL :  cpu time    256.8905: real time    257.8564
    CORREC:  cpu time      0.0023: real time      0.0023
    CHARGE:  cpu time      0.1075: real time      0.1078
    --------------------------------------------
      LOOP:  cpu time    258.1892: real time    259.1582

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8717381E-04  (-0.1574207E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007679 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87333973
  -exchange      EXHF   =        33.38274039
  -V(xc)+E(xc)   XCENC  =       -83.51728807
  PAW double counting   =    101656.69182511  -101555.74132912
  entropy T*S    EENTRO =         0.00186426
  eigenvalues    EBANDS =       -34.93030337
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881535 eV

  energy without entropy =      -13.89067961  energy(sigma->0) =      -13.88943677
  exchange ACFDT corr.  =        -0.00172859  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(  10)  ---------------------------------------


    POTLOK:  cpu time      0.4203: real time      0.4217
    SETDIJ:  cpu time      0.7682: real time      0.7696
    TRIAL :  cpu time    257.1941: real time    258.1487
    CORREC:  cpu time      0.0021: real time      0.0021
    CHARGE:  cpu time      0.1075: real time      0.1079
    --------------------------------------------
      LOOP:  cpu time    258.4925: real time    259.4503

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1219605E-04  (-0.2749859E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007678 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87537966
  -exchange      EXHF   =        33.38275365
  -V(xc)+E(xc)   XCENC  =       -83.51728447
  PAW double counting   =    101656.77379228  -101555.82329390
  entropy T*S    EENTRO =         0.00186710
  eigenvalues    EBANDS =       -34.92829586
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88882755 eV

  energy without entropy =      -13.89069464  energy(sigma->0) =      -13.88944991
  exchange ACFDT corr.  =        -0.00172820  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(  11)  ---------------------------------------


    POTLOK:  cpu time      0.4205: real time      0.4218
    SETDIJ:  cpu time      0.7674: real time      0.7687
    TRIAL :  cpu time    256.7828: real time    257.7701
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    258.0809: real time    259.0713

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9191992E-05  (-0.4124754E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007677 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87921528
  -exchange      EXHF   =        33.38277912
  -V(xc)+E(xc)   XCENC  =       -83.51727860
  PAW double counting   =    101656.78208630  -101555.83158460
  entropy T*S    EENTRO =         0.00186417
  eigenvalues    EBANDS =       -34.92448853
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88881835 eV

  energy without entropy =      -13.89068252  energy(sigma->0) =      -13.88943974
  exchange ACFDT corr.  =        -0.00172664  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(  12)  ---------------------------------------


    POTLOK:  cpu time      0.4204: real time      0.4219
    SETDIJ:  cpu time      0.7721: real time      0.7735
    TRIAL :  cpu time    256.0060: real time    257.0148
    CORREC:  cpu time      0.0022: real time      0.0022
    CHARGE:  cpu time      0.1077: real time      0.1081
    --------------------------------------------
      LOOP:  cpu time    257.3087: real time    258.3207

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1193263E-04  (-0.2722988E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007675 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87576993
  -exchange      EXHF   =        33.38276500
  -V(xc)+E(xc)   XCENC  =       -83.51728132
  PAW double counting   =    101656.99355175  -101556.04305329
  entropy T*S    EENTRO =         0.00186442
  eigenvalues    EBANDS =       -34.92792282
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883029 eV

  energy without entropy =      -13.89069471  energy(sigma->0) =      -13.88945176
  exchange ACFDT corr.  =        -0.00172837  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     38(  13)  ---------------------------------------


    POTLOK:  cpu time      0.4201: real time      0.4215
    SETDIJ:  cpu time      0.7698: real time      0.7713
    TRIAL :  cpu time    257.0984: real time    258.1137
    CORREC:  cpu time      0.0022: real time      0.0022
    EDDIAG:  cpu time    257.3625: real time    258.4843
    CHARGE:  cpu time      0.1073: real time      0.1077
    --------------------------------------------
      LOOP:  cpu time    515.7608: real time    517.9011

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2041109E-05  (-0.3559899E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0007672 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       418.51563190
  -Hartree energ DENC   =      -716.87646225
  -exchange      EXHF   =        33.38277787
  -V(xc)+E(xc)   XCENC  =       -83.51728012
  PAW double counting   =    101657.18108614  -101556.23058334
  entropy T*S    EENTRO =         0.00186543
  eigenvalues    EBANDS =       -34.92724326
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88883233 eV

  energy without entropy =      -13.89069776  energy(sigma->0) =      -13.88945414
  exchange ACFDT corr.  =        -0.00172826  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0403


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8111       2 -69.7039       3 -69.7544       4 -69.7071       5 -69.8280
 
 
 
 E-fermi :   3.2415     XC(G=0):  -5.1067     alpha+bet : -8.9779

 Fermi energy:         3.2414661237

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9215      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7158      1.00000
      5      -4.2263      1.00000
      6      -1.5027      1.00000
      7       1.7983      1.00000
      8       4.6983     -0.00000
      9       5.3690     -0.00000
     10       7.9194     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2203      0.00000
     14      16.0223      0.00000
     15      16.0266      0.00000
     16      16.0326      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1395      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1395      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1397      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6270      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2736      0.00000
     16      12.6248      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6272      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7679     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.6511      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7679     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.6722      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7679     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.6510      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.3964      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5175      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.5040      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5530      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5330      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5415      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2757     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2790     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2835     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2760     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2757     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2851     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6377     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6386     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6381     -0.00000
 Fermi energy:         3.2414661237

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9215      1.00000
      2      -9.9529      1.00000
      3      -8.5807      1.00000
      4      -6.7158      1.00000
      5      -4.2263      1.00000
      6      -1.5027      1.00000
      7       1.7983      1.00000
      8       4.6983     -0.00000
      9       5.3690     -0.00000
     10       7.9194     -0.00000
     11       8.0216     -0.00000
     12      11.8934      0.00000
     13      12.2203      0.00000
     14      16.0223      0.00000
     15      16.0255      0.00000
     16      16.0326      0.00000

 k-point     2 :       0.0909   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1395      0.00000

 k-point     3 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1395      0.00000

 k-point     4 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.6739      1.00000
      2      -9.7046      1.00000
      3      -8.3311      1.00000
      4      -6.4645      1.00000
      5      -3.9696      1.00000
      6      -1.2519      1.00000
      7       2.0525      1.00000
      8       4.9161     -0.00000
      9       5.5766     -0.00000
     10       8.1185     -0.00000
     11       8.2169     -0.00000
     12      12.0252      0.00000
     13      12.3135      0.00000
     14      12.8004      0.00000
     15      13.5916      0.00000
     16      14.1395      0.00000

 k-point     5 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6223      0.00000

 k-point     6 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6268      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.9309      1.00000
      2      -8.9595      1.00000
      3      -7.5822      1.00000
      4      -5.7109      1.00000
      5      -3.2023      1.00000
      6      -0.5030      1.00000
      7       2.7869      1.00300
      8       5.5393     -0.00000
      9       6.1900     -0.00000
     10       8.3736     -0.00000
     11       8.7574      0.00000
     12       9.2691      0.00000
     13       9.7162      0.00000
     14      10.8011      0.00000
     15      12.2735      0.00000
     16      12.6268      0.00000

 k-point     8 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point     9 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    10 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.6918      1.00000
      2      -7.7164      1.00000
      3      -6.3328      1.00000
      4      -4.4565      1.00000
      5      -1.9366      1.00000
      6       0.7189      1.00000
      7       3.7737     -0.00055
      8       4.9970     -0.00000
      9       5.9590     -0.00000
     10       6.7309     -0.00000
     11       7.1829     -0.00000
     12       7.3366     -0.00000
     13       8.7972      0.00000
     14       9.7312      0.00000
     15       9.9812      0.00000
     16      10.8862      0.00000

 k-point    11 :       0.3636   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7679     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.6509      0.00000

 k-point    12 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7679     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.6527      0.00000

 k-point    13 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -6.9540      1.00000
      2      -5.9722      1.00000
      3      -4.5819      1.00000
      4      -2.7114      1.00000
      5      -0.2591      1.00000
      6       1.1597      1.00000
      7       2.0881      1.00000
      8       2.8636      1.01125
      9       3.7680     -0.00063
     10       5.4640     -0.00000
     11       5.7487     -0.00000
     12       7.7451     -0.00000
     13       8.2268     -0.00000
     14       8.6939     -0.00000
     15       9.9686      0.00000
     16      10.8198      0.00000

 k-point    14 :       0.4545   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.3960      0.00000

 k-point    15 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.2570      0.00000

 k-point    16 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.7138      1.00000
      2      -3.7273      1.00000
      3      -2.3507      1.00000
      4      -1.9835      1.00000
      5      -1.0878      1.00000
      6      -0.5377      1.00000
      7       0.5743      1.00000
      8       2.1925      1.00000
      9       2.5973      1.00003
     10       4.6679     -0.00000
     11       4.8962     -0.00000
     12       7.1664     -0.00000
     13       7.6753     -0.00000
     14       9.8157      0.00000
     15       9.9943      0.00000
     16      10.4370      0.00000

 k-point    17 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5378      0.00000

 k-point    18 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5431      0.00000

 k-point    19 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -10.1786      1.00000
      2      -9.2079      1.00000
      3      -7.8319      1.00000
      4      -5.9620      1.00000
      5      -3.4576      1.00000
      6      -0.7518      1.00000
      7       2.5477      1.00001
      8       5.3407     -0.00000
      9       5.9884     -0.00000
     10       8.4960     -0.00000
     11       8.5683     -0.00000
     12      10.9466      0.00000
     13      10.9863      0.00000
     14      11.5210      0.00000
     15      11.6804      0.00000
     16      12.5324      0.00000

 k-point    20 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    21 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    22 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    23 :       0.1818   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    24 :      -0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    25 :      -0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -9.1876      1.00000
      2      -8.2139      1.00000
      3      -6.8327      1.00000
      4      -4.9580      1.00000
      5      -2.4404      1.00000
      6       0.2378      1.00000
      7       3.4704     -0.03435
      8       6.0171     -0.00000
      9       6.7300     -0.00000
     10       7.2683     -0.00000
     11       7.9074     -0.00000
     12       8.9485      0.00000
     13       9.1561      0.00000
     14       9.6024      0.00000
     15       9.8012      0.00000
     16      10.2436      0.00000

 k-point    26 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    27 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
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     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    28 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    29 :       0.2727   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    30 :      -0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    31 :      -0.3636   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6990      1.00000
      2      -6.7203      1.00000
      3      -5.3322      1.00000
      4      -3.4564      1.00000
      5      -0.9460      1.00000
      6       1.6230      1.00000
      7       3.1494      0.84684
      8       4.2107     -0.00000
      9       5.1615     -0.00000
     10       5.6027     -0.00000
     11       7.1598     -0.00000
     12       7.5107     -0.00000
     13       8.0504     -0.00000
     14       8.4780     -0.00000
     15       9.0279      0.00000
     16       9.6538      0.00000

 k-point    32 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    33 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    34 :      -0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    35 :       0.3636   -0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4080      0.00000

 k-point    36 :      -0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    37 :      -0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -5.7091      1.00000
      2      -4.7243      1.00000
      3      -3.3343      1.00000
      4      -1.4960      1.00000
      5      -0.2897      1.00000
      6       0.4668      1.00000
      7       1.3390      1.00000
      8       2.4124      1.00000
      9       3.7942     -0.00033
     10       4.0913     -0.00000
     11       6.2670     -0.00000
     12       6.7393     -0.00000
     13       7.6946     -0.00000
     14       8.4541     -0.00000
     15       8.9428      0.00000
     16       9.4081      0.00000

 k-point    38 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    39 :       0.4545   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    40 :      -0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.2318      1.00000
      2      -3.2057      1.00000
      3      -2.2419      1.00000
      4      -2.2394      1.00000
      5      -1.0947      1.00000
      6      -0.6983      1.00000
      7       0.8176      1.00000
      8       1.5828      1.00000
      9       3.6084     -0.01314
     10       3.7654     -0.00067
     11       5.8268     -0.00000
     12       6.2248     -0.00000
     13       7.3510     -0.00000
     14       8.1767     -0.00000
     15       9.0444      0.00000
     16       9.3143      0.00000

 k-point    41 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    42 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    43 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.9471      1.00000
      2      -6.9695      1.00000
      3      -5.5825      1.00000
      4      -3.7062      1.00000
      5      -1.1886      1.00000
      6       1.4360      1.00000
      7       4.3424     -0.00000
      8       5.4325     -0.00000
      9       5.8385     -0.00000
     10       6.4757     -0.00000
     11       6.7944     -0.00000
     12       7.3068     -0.00000
     13       7.7847     -0.00000
     14       7.9010     -0.00000
     15       8.0129     -0.00000
     16       9.4067      0.00000

 k-point    44 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    45 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    46 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    47 :       0.2727   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    48 :      -0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8331      0.00000

 k-point    49 :      -0.4545   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -6.2058      1.00000
      2      -5.2236      1.00000
      3      -3.8317      1.00000
      4      -1.9701      1.00000
      5       0.4546      1.00000
      6       1.8884      1.00000
      7       2.7658      1.00196
      8       3.5159     -0.03272
      9       4.4297     -0.00000
     10       4.5826     -0.00000
     11       5.4817     -0.00000
     12       6.0616     -0.00000
     13       6.6788     -0.00000
     14       7.1657     -0.00000
     15       8.4669     -0.00000
     16       8.8330      0.00000

 k-point    50 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2758     -0.00000

 k-point    51 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75194
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2757     -0.00000

 k-point    52 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2757     -0.00000

 k-point    53 :       0.3636   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2911     -0.00000

 k-point    54 :      -0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75193
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2794     -0.00000

 k-point    55 :       0.4545   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.9609      1.00000
      2      -2.9794      1.00000
      3      -1.6087      1.00000
      4      -1.2303      1.00000
      5      -0.3548      1.00000
      6       0.1794      1.00000
      7       1.3007      1.00000
      8       2.8172      1.00530
      9       3.1786      0.75194
     10       4.0600     -0.00000
     11       4.8254     -0.00000
     12       5.6193     -0.00000
     13       5.8957     -0.00000
     14       6.7805     -0.00000
     15       7.9246     -0.00000
     16       8.2757     -0.00000

 k-point    56 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    57 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    58 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2083      1.00000
      2      -3.2271      1.00000
      3      -1.8444      1.00000
      4      -0.0651      1.00000
      5       1.1865      1.00000
      6       1.1930      1.00000
      7       1.7544      1.00000
      8       2.1568      1.00000
      9       2.9189      1.02252
     10       3.4271     -0.01574
     11       4.2054     -0.00000
     12       5.3081     -0.00000
     13       5.3525     -0.00000
     14       6.0198     -0.00000
     15       7.8880     -0.00000
     16       7.9371     -0.00000

 k-point    59 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6382     -0.00000

 k-point    60 :       0.3636   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6377     -0.00000

 k-point    61 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.7305      1.00000
      2      -1.7013      1.00000
      3      -0.7783      1.00000
      4      -0.7395      1.00000
      5       0.3554      1.00000
      6       0.7252      1.00000
      7       0.9851      1.00000
      8       1.7603      1.00000
      9       2.3157      1.00000
     10       2.5783      1.00001
     11       3.9084     -0.00001
     12       5.2112     -0.00000
     13       5.4591     -0.00000
     14       5.6163     -0.00000
     15       7.3069     -0.00000
     16       7.6378     -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
  8.063  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881  -0.000   0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -0.000   0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.063  13.765   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.765  23.490   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -0.000  -0.000   5.469  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -0.000  -0.000  15.767  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
116.256 -62.093   0.000  -0.082   0.000  -0.000  -0.022  -0.000
-62.093  33.164  -0.000   0.035  -0.000   0.000   0.013   0.000
  0.000  -0.000   2.115  -0.000  -0.000  -0.328   0.000   0.000
 -0.082   0.035  -0.000   1.661   0.000   0.000  -0.255  -0.000
  0.000  -0.000  -0.000   0.000   2.115   0.000  -0.000  -0.328
 -0.000   0.000  -0.328   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.013   0.000  -0.255  -0.000  -0.000   0.039   0.000
 -0.000   0.000   0.000  -0.000  -0.328  -0.000   0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


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


    FORLOC:  cpu time      0.0010: real time      0.0010
    FORHF :  cpu time    202.4875: real time    203.2590
    FORNL :  cpu time      0.0785: real time      0.0787
    FORCOR:  cpu time      1.1860: real time      1.1887
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      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 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.425E-06 0.557E-06 0.184E+03   0.506E-13 0.258E-13 -.183E+03   -.188E-06 -.128E-05 -.122E+01
   0.710E-06 0.119E-06 0.928E+02   0.166E-14 0.435E-14 -.929E+02   -.132E-05 -.111E-06 0.195E+00
   -.298E-05 0.247E-06 -.503E+00   -.153E-12 -.896E-13 0.500E+00   0.402E-05 -.267E-06 -.136E-01
   0.183E-06 0.286E-06 -.939E+02   0.145E-12 0.871E-13 0.939E+02   -.150E-06 -.202E-07 0.491E-01
   -.236E-05 0.145E-05 -.183E+03   -.392E-13 -.242E-13 0.182E+03   0.218E-05 -.209E-05 0.984E+00
 -----------------------------------------------------------------------------------------------
   -.470E-05 0.309E-05 -.164E-01   0.439E-14 0.346E-14 0.568E-13   0.454E-05 -.377E-05 -.805E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.083310
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.096887
      1.42873      0.82488      4.63049         0.000001     -0.000000     -0.011496
      2.85746      1.64976      6.92628         0.000000      0.000000     -0.004923
      0.00000      0.00000      9.30424        -0.000000     -0.000000      0.002842
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000001     -0.024434


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.88883233 eV

  energy  without entropy=      -13.89069776  energy(sigma->0) =      -13.88945414
 
 d Force =-0.1382986E-04[-0.146E-04,-0.131E-04]  d Energy =-0.2738030E-05-0.111E-04
 d Force = 0.1223305E+00[ 0.122E+00, 0.122E+00]  d Ewald  = 0.1223305E+00 0.250E-09


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


    POTLOK:  cpu time      1.1885: real time      1.1912


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


 -----------------------------------------------------------------------------
|                                                                             |
|     EEEEEEE  RRRRRR   RRRRRR   OOOOOOO  RRRRRR      ###     ###     ###     |
|     E        R     R  R     R  O     O  R     R     ###     ###     ###     |
|     E        R     R  R     R  O     O  R     R     ###     ###     ###     |
|     EEEEE    RRRRRR   RRRRRR   O     O  RRRRRR       #       #       #      |
|     E        R   R    R   R    O     O  R   R                               |
|     E        R    R   R    R   O     O  R    R      ###     ###     ###     |
|     EEEEEEE  R     R  R     R  OOOOOOO  R     R     ###     ###     ###     |
|                                                                             |
|     ZBRENT: fatal error in bracketing                                       |
|      please rerun with smaller EDIFF, or copy CONTCAR                       |
|      to POSCAR and continue                                                 |
|                                                                             |
|       ---->  I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <----       |
|                                                                             |
 -----------------------------------------------------------------------------

