vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 01 29 
  22:12:26 
 
 
  (Si)8  (Fd-3m) ~ Si  (GPU)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       3
       1
      245.34500000
        1.11000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            0.00000000       2.70931500       2.70931500 
            2.70931500       0.00000000       2.70931500 
            2.70931500       2.70931500       0.00000000 
    
         39.77484538 
    
           -0.18454849       0.18454849       0.18454849 
            0.18454849      -0.18454849       0.18454849 
            0.18454849       0.18454849      -0.18454849 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
           1 
           2 
  
 
 
  
          5        5        5 
         0.00000000       0.00000000       0.00000000 
         0.20000000       0.00000000       0.00000000 
         0.00000000       0.20000000       0.00000000 
         0.00000000       0.00000000       0.20000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.20000000       0.00000000       0.00000000 
          0.40000000       0.00000000       0.00000000 
          0.20000000       0.20000000       0.00000000 
          0.40000000       0.20000000       0.00000000 
         -0.40000000       0.20000000       0.00000000 
         -0.20000000       0.20000000       0.00000000 
          0.40000000       0.40000000       0.00000000 
         -0.40000000       0.40000000       0.00000000 
         -0.40000000       0.40000000       0.20000000 
  
  
          0.00800000 
          0.06400000 
          0.06400000 
          0.04800000 
          0.19200000 
          0.19200000 
          0.09600000 
          0.04800000 
          0.09600000 
          0.19200000 
  
 
 
  
   (Si)8  (Fd-3m) ~ Si  (GPU)
    F  
  
  
   normal
       245.34500000
       322.06900000
         0.00001000
       38
       11
        8
       -1
       -1
         8.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        245.34500000
    
      T  
      F  
           0.00100000
           0.00000031
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       16
       16
       16
       32
       32
       32
    F  
  
  
      100
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000
         0.00000000
         1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        11.93245361
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
         2 
         1 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
   
  
 
 
  
   
           0.00000000       2.70931500       2.70931500 
           2.70931500       0.00000000       2.70931500 
           2.70931500       2.70931500       0.00000000 
   
        39.77484538 
   
          -0.18454849       0.18454849       0.18454849 
           0.18454849      -0.18454849       0.18454849 
           0.18454849       0.18454849      -0.18454849 
   
  
  
          0.37500000       0.37500000       0.37500000 
          0.62500000       0.62500000       0.62500000 
  
 
 
  
   
   
   
          3.38536887 
       -229.04312351 
        -10.90691424 
        -18.57702965 
        176.24759923 
       -141.06103558 
         -0.00517824 
         13.29207430 
        206.12257231 
         -0.54566651 
         -0.54048828 
         -0.54394043 
   
  
  
   
   
   
        -10.81351869 
        -10.81380966 
        -10.81361568 
   
  
  
   
   
   
        -10.94696650 
        -10.94724537 
        -10.94705946 
   
  
  
   
   
   
        -10.94731769 
        -10.94759656 
        -10.94741064 
   
  
  
   
   
   
        -10.94731798 
        -10.94759686 
        -10.94741094 
   
  
  
   
   
   
        -10.81374004 
        -10.81403733 
        -10.81383914 
   
  
  
   
   
   
        -10.75320113 
        -10.75416827 
        -10.75352351 
   
  
  
   
   
   
        -10.75438513 
        -10.75523301 
        -10.75466776 
   
  
  
   
   
   
        -10.75461117 
        -10.75544259 
        -10.75488831 
   
  
  
   
   
   
        -10.75463918 
        -10.75546481 
        -10.75491439 
   
  
  
   
   
   
          3.38536887 
       -229.04312351 
        -14.97323978 
        -17.90722735 
       1050.03473771 
      -1015.08877283 
          0.00082439 
          6.71422131 
        206.12257231 
        -10.75463888 
        -10.75546327 
        -10.75491368 
   
  
  
   
    
            0.00000000       2.70931500       2.70931500 
            2.70931500       0.00000000       2.70931500 
            2.70931500       2.70931500       0.00000000 
    
         39.77484538 
    
           -0.18454849       0.18454849       0.18454849 
            0.18454849      -0.18454849       0.18454849 
            0.18454849       0.18454849      -0.18454849 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
         -0.00000000      -0.00000000      -0.00000000 
          0.00000000       0.00000000       0.00000000 
  
  
         26.00090517      -0.00000000      -0.00000000 
          0.00000000      26.00090517      -0.00000000 
         -0.00000000       0.00000000      26.00090517 
  
  
       -10.75463888 
       -10.75546327 
       -10.75491368 
  
  
 
 
  
   
   
   
          3.23203796 
       -225.53160476 
        -14.74519509 
        -18.13457279 
       1050.12251375 
      -1015.17654258 
          0.00030569 
          3.33924552 
        206.12257231 
        -10.77123998 
        -10.77154568 
        -10.77134188 
   
  
  
   
   
   
        -10.76361613 
        -10.76395275 
        -10.76372833 
   
  
  
   
   
   
        -10.75962582 
        -10.76004869 
        -10.75976678 
   
  
  
   
   
   
          3.23203796 
       -225.53160476 
        -15.52255346 
        -18.11475864 
        949.90611144 
       -914.92815384 
          0.00041990 
          4.07629906 
        206.12257231 
        -10.75963002 
        -10.76004991 
        -10.75976998 
   
  
  
   
    
            0.00000000       2.75149893       2.75149893 
            2.75149893       0.00000000       2.75149893 
            2.75149893       2.75149893      -0.00000000 
    
         41.66180123 
    
           -0.18171913       0.18171913       0.18171913 
            0.18171913      -0.18171913       0.18171913 
            0.18171913       0.18171913      -0.18171913 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
          0.00000000       0.00000000       0.00000000 
         -0.00000000      -0.00000000      -0.00000000 
  
  
        -16.25499054       0.00000000       0.00000000 
          0.00000000     -16.25499054      -0.00000000 
         -0.00000000      -0.00000000     -16.25499054 
  
  
       -10.75963002 
       -10.76004991 
       -10.75976998 
  
  
 
 
  
   
   
   
          3.29251775 
       -226.92968006 
        -15.62030466 
        -18.02843756 
        978.15943102 
       -943.17334447 
          0.00075217 
          5.41122262 
        206.12257231 
        -10.76527088 
        -10.76602305 
        -10.76552160 
   
  
  
   
   
   
        -10.76431792 
        -10.76495565 
        -10.76453050 
   
  
  
   
   
   
        -10.76367077 
        -10.76420225 
        -10.76384793 
   
  
  
   
   
   
          3.29251775 
       -226.92968006 
        -15.30421114 
        -18.03601116 
       1013.04321162 
       -978.06939216 
          0.00053285 
          5.11678764 
        206.12257231 
        -10.76367235 
        -10.76420520 
        -10.76384996 
   
  
  
   
    
            0.00000000       2.73454742       2.73454742 
            2.73454742       0.00000000       2.73454742 
            2.73454742       2.73454742      -0.00000000 
    
         40.89652152 
    
           -0.18284561       0.18284561       0.18284561 
            0.18284561      -0.18284561       0.18284561 
            0.18284561       0.18284561      -0.18284561 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
         -0.00000000      -0.00000000      -0.00000000 
          0.00000000       0.00000000       0.00000000 
  
  
         -0.20827728       0.00000000       0.00000000 
         -0.00000000      -0.20827728      -0.00000000 
          0.00000000       0.00000000      -0.20827728 
  
  
       -10.76367235 
       -10.76420520 
       -10.76384996 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
          -6.1844    1.0000 
           5.6465    1.0081 
           5.6465    1.0080 
           5.6465    1.0080 
           8.1958   -0.0000 
           8.1958   -0.0000 
           8.1958   -0.0000 
           8.7648   -0.0000 
      
      
          -5.6765    1.0000 
           2.6534    1.0000 
           5.0724    1.0000 
           5.0724    1.0000 
           7.7924   -0.0000 
           8.9878   -0.0000 
           8.9879   -0.0000 
          11.5186    0.0000 
      
      
          -4.3432    1.0000 
          -0.5577    1.0000 
           4.5288    1.0000 
           4.5289    1.0000 
           7.1914   -0.0000 
           9.0687   -0.0000 
           9.0687   -0.0000 
          13.4425    0.0000 
      
      
          -5.5015    1.0000 
           3.0023    1.0000 
           4.1812    1.0000 
           4.1813    1.0000 
           7.1155   -0.0000 
           9.5001   -0.0000 
          10.4897   -0.0000 
          10.4898   -0.0000 
      
      
          -4.3821    1.0000 
           0.3695    1.0000 
           3.0565    1.0000 
           3.6795    1.0000 
           7.4318   -0.0000 
           9.7202   -0.0000 
          10.5123   -0.0000 
          11.0514   -0.0000 
      
      
          -3.5209    1.0000 
          -0.9910    1.0000 
           2.2626    1.0000 
           3.9543    1.0000 
           7.7036   -0.0000 
          10.1997   -0.0000 
          10.4313   -0.0000 
          13.1558    0.0000 
      
      
          -4.8608    1.0000 
           1.1876    1.0000 
           2.6994    1.0000 
           4.8075    1.0000 
           8.4931   -0.0000 
           9.6061   -0.0000 
           9.9291   -0.0000 
          11.3009    0.0000 
      
      
          -3.5207    1.0000 
          -0.5039    1.0000 
           2.9923    1.0000 
           2.9923    1.0000 
           6.2621   -0.0040 
           6.9971   -0.0000 
          14.0674    0.0000 
          14.0674    0.0000 
      
      
          -2.3448    1.0000 
          -1.7417    1.0000 
           1.6608    1.0000 
           3.1082    1.0000 
           6.7088   -0.0000 
           8.7983   -0.0000 
          13.6436    0.0000 
          14.2213    0.0000 
      
      
          -3.0941    1.0000 
          -0.8820    1.0000 
           1.7416    1.0000 
           2.7100    1.0000 
           9.0314   -0.0000 
           9.4352   -0.0000 
          10.0150   -0.0000 
          13.3613    0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000
  
  
         5.82277484 
   
    
     gridpoints
     spin
     energy
     total
     integrated
     
      
           -8.1844     0.0000     0.0000 
           -8.1030     0.0000     0.0000 
           -8.0217     0.0000     0.0000 
           -7.9403     0.0000     0.0000 
           -7.8590    -0.0000    -0.0000 
           -7.7776    -0.0000    -0.0000 
           -7.6963    -0.0000    -0.0000 
           -7.6149    -0.0000    -0.0000 
           -7.5336    -0.0000    -0.0000 
           -7.4522    -0.0000    -0.0000 
           -7.3709    -0.0000    -0.0000 
           -7.2895    -0.0000    -0.0000 
           -7.2082    -0.0000    -0.0000 
           -7.1268    -0.0000    -0.0000 
           -7.0454    -0.0000    -0.0000 
           -6.9641    -0.0000    -0.0000 
           -6.8827    -0.0000    -0.0000 
           -6.8014    -0.0000    -0.0000 
           -6.7200    -0.0001    -0.0000 
           -6.6387    -0.0005    -0.0000 
           -6.5573    -0.0018    -0.0002 
           -6.4760    -0.0034    -0.0005 
           -6.3946    -0.0000    -0.0005 
           -6.3133     0.0178     0.0010 
           -6.2319     0.0475     0.0048 
           -6.1506     0.0633     0.0100 
           -6.0692     0.0415     0.0134 
           -5.9879    -0.0044     0.0130 
           -5.9065    -0.0199     0.0114 
           -5.8252     0.0741     0.0174 
           -5.7438     0.3071     0.0424 
           -5.6625     0.5660     0.0884 
           -5.5811     0.6835     0.1441 
           -5.4998     0.6113     0.1938 
           -5.4184     0.4100     0.2271 
           -5.3370     0.1776     0.2416 
           -5.2557     0.0108     0.2425 
           -5.1743    -0.0612     0.2375 
           -5.0930    -0.0427     0.2340 
           -5.0116     0.1284     0.2445 
           -4.9303     0.4736     0.2830 
           -4.8489     0.7569     0.3446 
           -4.7676     0.6670     0.3988 
           -4.6862     0.2686     0.4207 
           -4.6049     0.0106     0.4215 
           -4.5235     0.3333     0.4487 
           -4.4422     1.2364     0.5492 
           -4.3608     2.0144     0.7131 
           -4.2795     1.8740     0.8656 
           -4.1981     0.9840     0.9456 
           -4.1168     0.1938     0.9614 
           -4.0354    -0.0971     0.9535 
           -3.9541    -0.1049     0.9450 
           -3.8727    -0.0985     0.9369 
           -3.7914    -0.1089     0.9281 
           -3.7100     0.0862     0.9351 
           -3.6286     0.7518     0.9962 
           -3.5473     1.6396     1.1296 
           -3.4659     1.9258     1.2863 
           -3.3846     1.2762     1.3901 
           -3.3032     0.4672     1.4281 
           -3.2219     0.4120     1.4616 
           -3.1405     1.0602     1.5479 
           -3.0592     1.5374     1.6730 
           -2.9778     1.2438     1.7742 
           -2.8965     0.5279     1.8171 
           -2.8151     0.0338     1.8199 
           -2.7338    -0.1003     1.8117 
           -2.6524    -0.0884     1.8045 
           -2.5711    -0.0339     1.8017 
           -2.4897     0.1524     1.8141 
           -2.4084     0.5040     1.8551 
           -2.3270     0.7772     1.9184 
           -2.2457     0.6888     1.9744 
           -2.1643     0.3296     2.0012 
           -2.0829     0.0232     2.0031 
           -2.0016    -0.0780     1.9968 
           -1.9202     0.0283     1.9991 
           -1.8389     0.3389     2.0266 
           -1.7575     0.6954     2.0832 
           -1.6762     0.7743     2.1462 
           -1.5948     0.4949     2.1865 
           -1.5135     0.1455     2.1983 
           -1.4321    -0.0373     2.1953 
           -1.3508    -0.0973     2.1873 
           -1.2694    -0.1351     2.1764 
           -1.1881    -0.0423     2.1729 
           -1.1067     0.4986     2.2135 
           -1.0254     1.5777     2.3418 
           -0.9440     2.5925     2.5527 
           -0.8627     2.6773     2.7705 
           -0.7813     1.7729     2.9148 
           -0.7000     0.7878     2.9788 
           -0.6186     0.4981     3.0194 
           -0.5373     0.7158     3.0776 
           -0.4559     0.7802     3.1411 
           -0.3745     0.4838     3.1804 
           -0.2932     0.1334     3.1913 
           -0.2118    -0.0283     3.1890 
           -0.1305    -0.0446     3.1853 
           -0.0491    -0.0392     3.1822 
            0.0322    -0.0670     3.1767 
            0.1136    -0.0757     3.1706 
            0.1949     0.1351     3.1815 
            0.2763     0.7342     3.2413 
            0.3576     1.4199     3.3568 
            0.4390     1.5358     3.4817 
            0.5203     0.9538     3.5593 
            0.6017     0.2705     3.5813 
            0.6830    -0.0504     3.5772 
            0.7644    -0.0853     3.5703 
            0.8457    -0.0619     3.5653 
            0.9271    -0.0466     3.5615 
            1.0084     0.0553     3.5660 
            1.0898     0.3456     3.5941 
            1.1711     0.6917     3.6504 
            1.2525     0.7565     3.7119 
            1.3339     0.4375     3.7475 
            1.4152     0.0489     3.7515 
            1.4966     0.0092     3.7522 
            1.5779     0.5688     3.7985 
            1.6593     1.5557     3.9250 
            1.7406     2.2195     4.1056 
            1.8220     1.9034     4.2604 
            1.9033     0.9066     4.3342 
            1.9847     0.0900     4.3415 
            2.0660    -0.0568     4.3369 
            2.1474     0.4524     4.3737 
            2.2287     1.2162     4.4726 
            2.3101     1.5120     4.5956 
            2.3914     1.0136     4.6781 
            2.4728     0.3864     4.7095 
            2.5541     0.6026     4.7586 
            2.6355     1.7258     4.8990 
            2.7168     2.6290     5.1128 
            2.7982     2.3808     5.3065 
            2.8795     1.7250     5.4469 
            2.9609     2.0044     5.6099 
            3.0423     2.9504     5.8500 
            3.1236     3.0790     6.1004 
            3.2050     1.9566     6.2596 
            3.2863     0.5987     6.3083 
            3.3677    -0.1242     6.2982 
            3.4490    -0.1968     6.2822 
            3.5304     0.1892     6.2976 
            3.6117     0.8892     6.3699 
            3.6931     1.4569     6.4885 
            3.7744     1.5054     6.6109 
            3.8558     1.3696     6.7223 
            3.9371     1.4804     6.8428 
            4.0185     1.5736     6.9708 
            4.0998     1.3502     7.0806 
            4.1812     0.9892     7.1611 
            4.2625     0.6449     7.2136 
            4.3439     0.3975     7.2459 
            4.4252     0.4728     7.2844 
            4.5066     0.8196     7.3510 
            4.5880     0.9921     7.4318 
            4.6693     0.8463     7.5006 
            4.7507     0.7123     7.5585 
            4.8320     0.7261     7.6176 
            4.9134     0.7613     7.6795 
            4.9947     0.8705     7.7504 
            5.0761     1.0340     7.8345 
            5.1574     0.9355     7.9106 
            5.2388     0.5088     7.9520 
            5.3201     0.1011     7.9602 
            5.4015    -0.0554     7.9557 
            5.4828    -0.0210     7.9540 
            5.5642     0.0875     7.9611 
            5.6455     0.1813     7.9758 
            5.7269     0.1852     7.9909 
            5.8082     0.1035     7.9993 
            5.8896     0.0148     8.0005 
            5.9709    -0.0285     7.9982 
            6.0523    -0.0087     7.9975 
            6.1336     0.1040     8.0060 
            6.2150     0.2853     8.0292 
            6.2964     0.3840     8.0604 
            6.3777     0.2823     8.0834 
            6.4591     0.0985     8.0914 
            6.5404     0.0904     8.0988 
            6.6218     0.3625     8.1283 
            6.7031     0.6867     8.1841 
            6.7845     0.7247     8.2431 
            6.8658     0.5086     8.2845 
            6.9472     0.4125     8.3180 
            7.0285     0.6026     8.3670 
            7.1099     0.8582     8.4369 
            7.1912     0.9341     8.5129 
            7.2726     0.9283     8.5884 
            7.3539     1.1335     8.6806 
            7.4353     1.4427     8.7980 
            7.5166     1.4755     8.9180 
            7.5980     1.4191     9.0334 
            7.6793     1.6907     9.1710 
            7.7607     1.9257     9.3276 
            7.8420     1.5207     9.4513 
            7.9234     0.6981     9.5081 
            8.0048     0.1120     9.5172 
            8.0861    -0.0227     9.5154 
            8.1675     0.0637     9.5206 
            8.2488     0.1403     9.5320 
            8.3302     0.2258     9.5504 
            8.4115     0.4475     9.5868 
            8.4929     0.6917     9.6430 
            8.5742     0.6882     9.6990 
            8.6556     0.5043     9.7401 
            8.7369     0.4945     9.7803 
            8.8183     0.8652     9.8507 
            8.8996     1.7271     9.9912 
            8.9810     2.9357    10.2300 
            9.0623     3.5582    10.5195 
            9.1437     2.7577    10.7438 
            9.2250     1.2492    10.8454 
            9.3064     0.5405    10.8894 
            9.3877     1.0456    10.9745 
            9.4691     1.8922    11.1284 
            9.5504     2.2900    11.3147 
            9.6318     2.2989    11.5017 
            9.7132     2.1601    11.6775 
            9.7945     1.8756    11.8300 
            9.8759     1.7056    11.9688 
            9.9572     1.9512    12.1275 
           10.0386     2.2953    12.3143 
           10.1199     2.2806    12.4998 
           10.2013     1.9592    12.6592 
           10.2826     1.7562    12.8020 
           10.3640     2.2086    12.9817 
           10.4453     3.2343    13.2448 
           10.5267     3.6556    13.5422 
           10.6080     2.6517    13.7579 
           10.6894     1.0171    13.8407 
           10.7707    -0.0279    13.8384 
           10.8521    -0.1545    13.8258 
           10.9334     0.3866    13.8573 
           11.0148     1.1674    13.9523 
           11.0961     1.5811    14.0809 
           11.1775     1.3898    14.1940 
           11.2589     1.0228    14.2772 
           11.3402     0.8398    14.3455 
           11.4216     0.7611    14.4074 
           11.5029     0.6682    14.4618 
           11.5843     0.5156    14.5037 
           11.6656     0.2860    14.5270 
           11.7470     0.0749    14.5331 
           11.8283    -0.0208    14.5314 
           11.9097    -0.0268    14.5292 
           11.9910    -0.0114    14.5283 
           12.0724    -0.0028    14.5280 
           12.1537    -0.0005    14.5280 
           12.2351    -0.0000    14.5280 
           12.3164    -0.0000    14.5280 
           12.3978    -0.0000    14.5280 
           12.4791    -0.0000    14.5280 
           12.5605    -0.0005    14.5280 
           12.6418    -0.0035    14.5277 
           12.7232    -0.0177    14.5262 
           12.8045    -0.0561    14.5217 
           12.8859    -0.0899    14.5144 
           12.9673     0.0373    14.5174 
           13.0486     0.5218    14.5598 
           13.1300     1.2518    14.6617 
           13.2113     1.8265    14.8103 
           13.2927     2.1090    14.9818 
           13.3740     2.1873    15.1598 
           13.4554     1.9434    15.3179 
           13.5367     1.4213    15.4335 
           13.6181     0.9911    15.5141 
           13.6994     0.7202    15.5727 
           13.7808     0.4011    15.6054 
           13.8621     0.1215    15.6153 
           13.9435     0.1695    15.6290 
           14.0248     0.5757    15.6759 
           14.1062     1.0444    15.7608 
           14.1875     1.2402    15.8617 
           14.2689     1.0409    15.9464 
           14.3502     0.5884    15.9943 
           14.4316     0.1725    16.0083 
           14.5129    -0.0242    16.0063 
           14.5943    -0.0481    16.0024 
           14.6757    -0.0226    16.0006 
           14.7570    -0.0061    16.0001 
           14.8384    -0.0011    16.0000 
           14.9197    -0.0001    16.0000 
           15.0011    -0.0000    16.0000 
           15.0824    -0.0000    16.0000 
           15.1638    -0.0000    16.0000 
           15.2451    -0.0000    16.0000 
           15.3265    -0.0000    16.0000 
           15.4078    -0.0000    16.0000 
           15.4892    -0.0000    16.0000 
           15.5705     0.0000    16.0000 
           15.6519     0.0000    16.0000 
           15.7332     0.0000    16.0000 
           15.8146     0.0000    16.0000 
           15.8959     0.0000    16.0000 
           15.9773     0.0000    16.0000 
           16.0586     0.0000    16.0000 
           16.1400     0.0000    16.0000 
           16.2213     0.0000    16.0000 
      
     
    
   
   
    
     gridpoints
     spin
     ion
     energy
       s  
       p  
       d  
     
      
       
            -8.1844     0.0000     0.0000     0.0000 
            -8.1030     0.0000     0.0000     0.0000 
            -8.0217     0.0000     0.0000     0.0000 
            -7.9403     0.0000     0.0000     0.0000 
            -7.8590    -0.0000    -0.0000    -0.0000 
            -7.7776    -0.0000    -0.0000    -0.0000 
            -7.6963    -0.0000    -0.0000    -0.0000 
            -7.6149    -0.0000    -0.0000    -0.0000 
            -7.5336    -0.0000    -0.0000    -0.0000 
            -7.4522    -0.0000    -0.0000    -0.0000 
            -7.3709    -0.0000    -0.0000    -0.0000 
            -7.2895    -0.0000    -0.0000    -0.0000 
            -7.2082    -0.0000    -0.0000    -0.0000 
            -7.1268    -0.0000    -0.0000    -0.0000 
            -7.0454    -0.0000    -0.0000    -0.0000 
            -6.9641    -0.0000    -0.0000    -0.0000 
            -6.8827    -0.0000    -0.0000    -0.0000 
            -6.8014    -0.0000    -0.0000    -0.0000 
            -6.7200    -0.0000    -0.0000    -0.0000 
            -6.6387    -0.0001    -0.0000    -0.0000 
            -6.5573    -0.0004    -0.0000    -0.0000 
            -6.4760    -0.0007    -0.0000    -0.0000 
            -6.3946    -0.0000    -0.0000    -0.0000 
            -6.3133     0.0036    -0.0000    -0.0000 
            -6.2319     0.0097    -0.0000    -0.0000 
            -6.1506     0.0130    -0.0000    -0.0000 
            -6.0692     0.0085    -0.0001    -0.0000 
            -5.9879    -0.0008    -0.0001    -0.0000 
            -5.9065    -0.0040    -0.0001    -0.0000 
            -5.8252     0.0150     0.0004     0.0000 
            -5.7438     0.0623     0.0016     0.0001 
            -5.6625     0.1146     0.0031     0.0002 
            -5.5811     0.1382     0.0041     0.0002 
            -5.4998     0.1234     0.0040     0.0002 
            -5.4184     0.0826     0.0029     0.0002 
            -5.3370     0.0357     0.0013     0.0001 
            -5.2557     0.0022     0.0000    -0.0000 
            -5.1743    -0.0123    -0.0006    -0.0001 
            -5.0930    -0.0086    -0.0005    -0.0000 
            -5.0116     0.0258     0.0017     0.0001 
            -4.9303     0.0950     0.0062     0.0005 
            -4.8489     0.1519     0.0098     0.0008 
            -4.7676     0.1339     0.0085     0.0007 
            -4.6862     0.0539     0.0031     0.0002 
            -4.6049     0.0020    -0.0000    -0.0000 
            -4.5235     0.0667     0.0060     0.0006 
            -4.4422     0.2482     0.0213     0.0022 
            -4.3608     0.4051     0.0341     0.0036 
            -4.2795     0.3775     0.0314     0.0034 
            -4.1981     0.1987     0.0163     0.0018 
            -4.1168     0.0394     0.0031     0.0004 
            -4.0354    -0.0195    -0.0017    -0.0002 
            -3.9541    -0.0213    -0.0019    -0.0002 
            -3.8727    -0.0202    -0.0020    -0.0003 
            -3.7914    -0.0225    -0.0023    -0.0004 
            -3.7100     0.0178     0.0019     0.0003 
            -3.6286     0.1552     0.0163     0.0025 
            -3.5473     0.3386     0.0354     0.0054 
            -3.4659     0.3979     0.0414     0.0064 
            -3.3846     0.2640     0.0270     0.0042 
            -3.3032     0.0965     0.0101     0.0015 
            -3.2219     0.0822     0.0121     0.0014 
            -3.1405     0.2112     0.0314     0.0036 
            -3.0592     0.3069     0.0448     0.0053 
            -2.9778     0.2485     0.0360     0.0043 
            -2.8965     0.1055     0.0153     0.0018 
            -2.8151     0.0067     0.0010     0.0001 
            -2.7338    -0.0201    -0.0030    -0.0004 
            -2.6524    -0.0177    -0.0028    -0.0004 
            -2.5711    -0.0068    -0.0011    -0.0001 
            -2.4897     0.0307     0.0054     0.0007 
            -2.4084     0.1014     0.0177     0.0024 
            -2.3270     0.1564     0.0273     0.0036 
            -2.2457     0.1386     0.0242     0.0032 
            -2.1643     0.0665     0.0114     0.0015 
            -2.0829     0.0053     0.0004     0.0001 
            -2.0016    -0.0149    -0.0033    -0.0004 
            -1.9202     0.0045     0.0019     0.0001 
            -1.8389     0.0610     0.0171     0.0016 
            -1.7575     0.1255     0.0348     0.0032 
            -1.6762     0.1398     0.0387     0.0036 
            -1.5948     0.0893     0.0247     0.0023 
            -1.5135     0.0264     0.0072     0.0007 
            -1.4321    -0.0059    -0.0023    -0.0002 
            -1.3508    -0.0148    -0.0065    -0.0004 
            -1.2694    -0.0199    -0.0096    -0.0006 
            -1.1881    -0.0098    -0.0015    -0.0004 
            -1.1067     0.0608     0.0410     0.0015 
            -1.0254     0.2161     0.1201     0.0061 
            -0.9440     0.3821     0.1862     0.0115 
            -0.8627     0.4219     0.1809     0.0134 
            -0.7813     0.2970     0.1125     0.0099 
            -0.7000     0.1335     0.0498     0.0047 
            -0.6186     0.0674     0.0398     0.0025 
            -0.5373     0.0904     0.0602     0.0034 
            -0.4559     0.1052     0.0626     0.0040 
            -0.3745     0.0697     0.0369     0.0027 
            -0.2932     0.0214     0.0093     0.0008 
            -0.2118    -0.0030    -0.0026    -0.0001 
            -0.1305    -0.0063    -0.0035    -0.0002 
            -0.0491    -0.0056    -0.0032    -0.0003 
             0.0322    -0.0093    -0.0058    -0.0005 
             0.1136    -0.0104    -0.0066    -0.0006 
             0.1949     0.0185     0.0118     0.0010 
             0.2763     0.1006     0.0643     0.0054 
             0.3576     0.1945     0.1243     0.0105 
             0.4390     0.2104     0.1344     0.0113 
             0.5203     0.1306     0.0835     0.0070 
             0.6017     0.0370     0.0237     0.0020 
             0.6830    -0.0069    -0.0044    -0.0004 
             0.7644    -0.0116    -0.0076    -0.0007 
             0.8457    -0.0084    -0.0057    -0.0005 
             0.9271    -0.0063    -0.0044    -0.0004 
             1.0084     0.0074     0.0054     0.0005 
             1.0898     0.0462     0.0334     0.0034 
             1.1711     0.0928     0.0666     0.0068 
             1.2525     0.1035     0.0720     0.0075 
             1.3339     0.0663     0.0387     0.0046 
             1.4152     0.0196    -0.0012     0.0010 
             1.4966    -0.0031     0.0029    -0.0001 
             1.5779    -0.0037     0.0911     0.0021 
             1.6593     0.0036     0.2429     0.0064 
             1.7406     0.0094     0.3445     0.0095 
             1.8220     0.0093     0.2947     0.0083 
             1.9033     0.0039     0.1404     0.0039 
             1.9847    -0.0015     0.0143     0.0002 
             2.0660     0.0010    -0.0091    -0.0001 
             2.1474     0.0177     0.0660     0.0038 
             2.2287     0.0420     0.1789     0.0095 
             2.3101     0.0517     0.2222     0.0117 
             2.3914     0.0362     0.1477     0.0077 
             2.4728     0.0171     0.0547     0.0032 
             2.5541     0.0208     0.0916     0.0060 
             2.6355     0.0416     0.2714     0.0162 
             2.7168     0.0497     0.4194     0.0235 
             2.7982     0.0372     0.3847     0.0206 
             2.8795     0.0341     0.2832     0.0147 
             2.9609     0.0624     0.3332     0.0177 
             3.0423     0.0939     0.4937     0.0264 
             3.1236     0.0869     0.5205     0.0270 
             3.2050     0.0460     0.3361     0.0164 
             3.2863     0.0094     0.1059     0.0045 
             3.3677    -0.0042    -0.0209    -0.0014 
             3.4490    -0.0039    -0.0347    -0.0018 
             3.5304    -0.0015     0.0388     0.0019 
             3.6117    -0.0003     0.1752     0.0084 
             3.6931    -0.0001     0.2865     0.0137 
             3.7744    -0.0000     0.2972     0.0143 
             3.8558    -0.0000     0.2740     0.0134 
             3.9371    -0.0000     0.3001     0.0151 
             4.0185    -0.0000     0.3193     0.0168 
             4.0998    -0.0000     0.2713     0.0159 
             4.1812     0.0000     0.1950     0.0134 
             4.2625     0.0000     0.1248     0.0098 
             4.3439     0.0000     0.0780     0.0062 
             4.4252     0.0000     0.0989     0.0067 
             4.5066     0.0000     0.1745     0.0113 
             4.5880     0.0000     0.2110     0.0137 
             4.6693     0.0000     0.1799     0.0122 
             4.7507     0.0000     0.1515     0.0113 
             4.8320     0.0000     0.1544     0.0124 
             4.9134     0.0000     0.1611     0.0140 
             4.9947     0.0000     0.1825     0.0177 
             5.0761     0.0000     0.2155     0.0223 
             5.1574     0.0000     0.1947     0.0205 
             5.2388     0.0000     0.1059     0.0111 
             5.3201    -0.0000     0.0210     0.0022 
             5.4015    -0.0000    -0.0116    -0.0013 
             5.4828    -0.0000    -0.0043    -0.0003 
             5.5642    -0.0000     0.0186     0.0028 
             5.6455    -0.0000     0.0384     0.0055 
             5.7269    -0.0000     0.0393     0.0056 
             5.8082    -0.0002     0.0224     0.0031 
             5.8896    -0.0005     0.0049     0.0003 
             5.9709    -0.0010    -0.0026    -0.0011 
             6.0523     0.0000    -0.0018    -0.0003 
             6.1336     0.0055     0.0043     0.0042 
             6.2150     0.0145     0.0132     0.0113 
             6.2964     0.0195     0.0181     0.0152 
             6.3777     0.0144     0.0135     0.0111 
             6.4591     0.0050     0.0049     0.0038 
             6.5404     0.0046     0.0037     0.0039 
             6.6218     0.0183     0.0142     0.0160 
             6.7031     0.0346     0.0269     0.0302 
             6.7845     0.0357     0.0279     0.0321 
             6.8658     0.0226     0.0187     0.0232 
             6.9472     0.0160     0.0163     0.0190 
             7.0285     0.0335     0.0290     0.0251 
             7.1099     0.0712     0.0438     0.0316 
             7.1912     0.1024     0.0460     0.0314 
             7.2726     0.1033     0.0471     0.0316 
             7.3539     0.0849     0.0693     0.0433 
             7.4353     0.0694     0.0992     0.0590 
             7.5166     0.0612     0.1029     0.0618 
             7.5980     0.0721     0.0913     0.0598 
             7.6793     0.1144     0.0983     0.0699 
             7.7607     0.1527     0.1089     0.0767 
             7.8420     0.1359     0.0862     0.0577 
             7.9234     0.0732     0.0396     0.0244 
             8.0048     0.0170     0.0075     0.0027 
             8.0861    -0.0063     0.0052    -0.0016 
             8.1675    -0.0090     0.0178     0.0017 
             8.2488    -0.0053     0.0253     0.0044 
             8.3302     0.0071     0.0279     0.0078 
             8.4115     0.0332     0.0397     0.0162 
             8.4929     0.0586     0.0560     0.0251 
             8.5742     0.0613     0.0536     0.0249 
             8.6556     0.0472     0.0344     0.0189 
             8.7369     0.0406     0.0294     0.0211 
             8.8183     0.0436     0.0696     0.0394 
             8.8996     0.0446     0.1782     0.0805 
             8.9810     0.0443     0.3282     0.1398 
             9.0623     0.0424     0.3995     0.1730 
             9.1437     0.0301     0.3046     0.1368 
             9.2250     0.0118     0.1319     0.0644 
             9.3064     0.0050     0.0386     0.0331 
             9.3877     0.0168     0.0651     0.0639 
             9.4691     0.0352     0.1399     0.1076 
             9.5504     0.0466     0.1966     0.1204 
             9.6318     0.0524     0.2185     0.1122 
             9.7132     0.0573     0.2041     0.1034 
             9.7945     0.0592     0.1679     0.0930 
             9.8759     0.0682     0.1581     0.0866 
             9.9572     0.0975     0.1963     0.0955 
            10.0386     0.1303     0.2345     0.1072 
            10.1199     0.1386     0.2281     0.1053 
            10.2013     0.1188     0.1920     0.0934 
            10.2826     0.0828     0.1786     0.0906 
            10.3640     0.0543     0.2509     0.1223 
            10.4453     0.0566     0.3939     0.1803 
            10.5267     0.0742     0.4568     0.1999 
            10.6080     0.0679     0.3353     0.1416 
            10.6894     0.0349     0.1300     0.0521 
            10.7707     0.0059    -0.0027    -0.0034 
            10.8521    -0.0044    -0.0192    -0.0079 
            10.9334    -0.0047     0.0493     0.0271 
            11.0148    -0.0041     0.1481     0.0774 
            11.0961    -0.0007     0.1988     0.1026 
            11.1775     0.0130     0.1685     0.0833 
            11.2589     0.0367     0.1125     0.0480 
            11.3402     0.0589     0.0845     0.0266 
            11.4216     0.0737     0.0806     0.0181 
            11.5029     0.0816     0.0800     0.0127 
            11.5843     0.0729     0.0675     0.0080 
            11.6656     0.0432     0.0390     0.0039 
            11.7470     0.0122     0.0106     0.0008 
            11.8283    -0.0024    -0.0025    -0.0005 
            11.9097    -0.0037    -0.0035    -0.0005 
            11.9910    -0.0016    -0.0015    -0.0002 
            12.0724    -0.0004    -0.0004    -0.0000 
            12.1537    -0.0001    -0.0001    -0.0000 
            12.2351    -0.0000    -0.0000    -0.0000 
            12.3164    -0.0000    -0.0000    -0.0000 
            12.3978    -0.0000    -0.0000    -0.0000 
            12.4791    -0.0000    -0.0000    -0.0000 
            12.5605    -0.0000    -0.0000    -0.0000 
            12.6418    -0.0001    -0.0004    -0.0002 
            12.7232    -0.0003    -0.0019    -0.0011 
            12.8045    -0.0009    -0.0060    -0.0036 
            12.8859    -0.0014    -0.0097    -0.0058 
            12.9673     0.0005     0.0037     0.0027 
            13.0486     0.0077     0.0555     0.0347 
            13.1300     0.0191     0.1347     0.0827 
            13.2113     0.0292     0.1999     0.1180 
            13.2927     0.0355     0.2341     0.1281 
            13.3740     0.0368     0.2409     0.1194 
            13.4554     0.0292     0.2105     0.0938 
            13.5367     0.0146     0.1624     0.0620 
            13.6181     0.0028     0.1371     0.0440 
            13.6994    -0.0015     0.1185     0.0357 
            13.7808    -0.0016     0.0711     0.0213 
            13.8621    -0.0014     0.0229     0.0075 
            13.9435    -0.0017     0.0297     0.0134 
            14.0248     0.0008     0.0977     0.0395 
            14.1062     0.0100     0.1765     0.0641 
            14.1875     0.0235     0.2093     0.0668 
            14.2689     0.0294     0.1755     0.0484 
            14.3502     0.0214     0.0991     0.0237 
            14.4316     0.0079     0.0290     0.0056 
            14.5129    -0.0000    -0.0041    -0.0016 
            14.5943    -0.0015    -0.0081    -0.0021 
            14.6757    -0.0008    -0.0038    -0.0009 
            14.7570    -0.0002    -0.0010    -0.0002 
            14.8384    -0.0000    -0.0002    -0.0000 
            14.9197    -0.0000    -0.0000    -0.0000 
            15.0011    -0.0000    -0.0000    -0.0000 
            15.0824    -0.0000    -0.0000    -0.0000 
            15.1638    -0.0000    -0.0000    -0.0000 
            15.2451    -0.0000    -0.0000    -0.0000 
            15.3265    -0.0000    -0.0000    -0.0000 
            15.4078    -0.0000    -0.0000    -0.0000 
            15.4892    -0.0000    -0.0000    -0.0000 
            15.5705     0.0000     0.0000     0.0000 
            15.6519     0.0000     0.0000     0.0000 
            15.7332     0.0000     0.0000     0.0000 
            15.8146     0.0000     0.0000     0.0000 
            15.8959     0.0000     0.0000     0.0000 
            15.9773     0.0000     0.0000     0.0000 
            16.0586     0.0000     0.0000     0.0000 
            16.1400     0.0000     0.0000     0.0000 
            16.2213     0.0000     0.0000     0.0000 
       
      
      
       
            -8.1844     0.0000     0.0000     0.0000 
            -8.1030     0.0000     0.0000     0.0000 
            -8.0217     0.0000     0.0000     0.0000 
            -7.9403     0.0000     0.0000     0.0000 
            -7.8590    -0.0000    -0.0000    -0.0000 
            -7.7776    -0.0000    -0.0000    -0.0000 
            -7.6963    -0.0000    -0.0000    -0.0000 
            -7.6149    -0.0000    -0.0000    -0.0000 
            -7.5336    -0.0000    -0.0000    -0.0000 
            -7.4522    -0.0000    -0.0000    -0.0000 
            -7.3709    -0.0000    -0.0000    -0.0000 
            -7.2895    -0.0000    -0.0000    -0.0000 
            -7.2082    -0.0000    -0.0000    -0.0000 
            -7.1268    -0.0000    -0.0000    -0.0000 
            -7.0454    -0.0000    -0.0000    -0.0000 
            -6.9641    -0.0000    -0.0000    -0.0000 
            -6.8827    -0.0000    -0.0000    -0.0000 
            -6.8014    -0.0000    -0.0000    -0.0000 
            -6.7200    -0.0000    -0.0000    -0.0000 
            -6.6387    -0.0001    -0.0000    -0.0000 
            -6.5573    -0.0004    -0.0000    -0.0000 
            -6.4760    -0.0007    -0.0000    -0.0000 
            -6.3946    -0.0000    -0.0000    -0.0000 
            -6.3133     0.0036    -0.0000    -0.0000 
            -6.2319     0.0097    -0.0000    -0.0000 
            -6.1506     0.0130    -0.0000    -0.0000 
            -6.0692     0.0085    -0.0001    -0.0000 
            -5.9879    -0.0008    -0.0001    -0.0000 
            -5.9065    -0.0040    -0.0001    -0.0000 
            -5.8252     0.0150     0.0004     0.0000 
            -5.7438     0.0623     0.0016     0.0001 
            -5.6625     0.1146     0.0031     0.0002 
            -5.5811     0.1382     0.0041     0.0002 
            -5.4998     0.1234     0.0040     0.0002 
            -5.4184     0.0826     0.0029     0.0002 
            -5.3370     0.0357     0.0013     0.0001 
            -5.2557     0.0022     0.0000    -0.0000 
            -5.1743    -0.0123    -0.0006    -0.0001 
            -5.0930    -0.0086    -0.0005    -0.0000 
            -5.0116     0.0258     0.0017     0.0001 
            -4.9303     0.0950     0.0062     0.0005 
            -4.8489     0.1519     0.0098     0.0008 
            -4.7676     0.1339     0.0085     0.0007 
            -4.6862     0.0539     0.0031     0.0002 
            -4.6049     0.0020    -0.0000    -0.0000 
            -4.5235     0.0667     0.0060     0.0006 
            -4.4422     0.2482     0.0213     0.0022 
            -4.3608     0.4051     0.0341     0.0036 
            -4.2795     0.3775     0.0314     0.0034 
            -4.1981     0.1987     0.0163     0.0018 
            -4.1168     0.0394     0.0031     0.0004 
            -4.0354    -0.0195    -0.0017    -0.0002 
            -3.9541    -0.0213    -0.0019    -0.0002 
            -3.8727    -0.0202    -0.0020    -0.0003 
            -3.7914    -0.0225    -0.0023    -0.0004 
            -3.7100     0.0178     0.0019     0.0003 
            -3.6286     0.1552     0.0163     0.0025 
            -3.5473     0.3386     0.0354     0.0054 
            -3.4659     0.3979     0.0414     0.0064 
            -3.3846     0.2640     0.0270     0.0042 
            -3.3032     0.0965     0.0101     0.0015 
            -3.2219     0.0822     0.0121     0.0014 
            -3.1405     0.2112     0.0314     0.0036 
            -3.0592     0.3069     0.0448     0.0053 
            -2.9778     0.2485     0.0360     0.0043 
            -2.8965     0.1055     0.0153     0.0018 
            -2.8151     0.0067     0.0010     0.0001 
            -2.7338    -0.0201    -0.0030    -0.0004 
            -2.6524    -0.0177    -0.0028    -0.0004 
            -2.5711    -0.0068    -0.0011    -0.0001 
            -2.4897     0.0307     0.0054     0.0007 
            -2.4084     0.1014     0.0177     0.0024 
            -2.3270     0.1564     0.0273     0.0036 
            -2.2457     0.1386     0.0242     0.0032 
            -2.1643     0.0665     0.0114     0.0015 
            -2.0829     0.0053     0.0004     0.0001 
            -2.0016    -0.0149    -0.0033    -0.0004 
            -1.9202     0.0045     0.0019     0.0001 
            -1.8389     0.0610     0.0171     0.0016 
            -1.7575     0.1255     0.0348     0.0032 
            -1.6762     0.1398     0.0387     0.0036 
            -1.5948     0.0893     0.0247     0.0023 
            -1.5135     0.0264     0.0072     0.0007 
            -1.4321    -0.0059    -0.0023    -0.0002 
            -1.3508    -0.0148    -0.0065    -0.0004 
            -1.2694    -0.0199    -0.0096    -0.0006 
            -1.1881    -0.0098    -0.0015    -0.0004 
            -1.1067     0.0608     0.0410     0.0015 
            -1.0254     0.2161     0.1201     0.0061 
            -0.9440     0.3821     0.1862     0.0115 
            -0.8627     0.4219     0.1809     0.0134 
            -0.7813     0.2970     0.1125     0.0099 
            -0.7000     0.1335     0.0498     0.0047 
            -0.6186     0.0674     0.0398     0.0025 
            -0.5373     0.0904     0.0602     0.0034 
            -0.4559     0.1052     0.0626     0.0040 
            -0.3745     0.0697     0.0369     0.0027 
            -0.2932     0.0214     0.0093     0.0008 
            -0.2118    -0.0030    -0.0026    -0.0001 
            -0.1305    -0.0063    -0.0035    -0.0002 
            -0.0491    -0.0056    -0.0032    -0.0003 
             0.0322    -0.0093    -0.0058    -0.0005 
             0.1136    -0.0104    -0.0066    -0.0006 
             0.1949     0.0185     0.0118     0.0010 
             0.2763     0.1006     0.0643     0.0054 
             0.3576     0.1945     0.1243     0.0105 
             0.4390     0.2104     0.1344     0.0113 
             0.5203     0.1306     0.0835     0.0070 
             0.6017     0.0370     0.0237     0.0020 
             0.6830    -0.0069    -0.0044    -0.0004 
             0.7644    -0.0116    -0.0076    -0.0007 
             0.8457    -0.0084    -0.0057    -0.0005 
             0.9271    -0.0063    -0.0044    -0.0004 
             1.0084     0.0074     0.0054     0.0005 
             1.0898     0.0462     0.0334     0.0034 
             1.1711     0.0928     0.0666     0.0068 
             1.2525     0.1035     0.0720     0.0075 
             1.3339     0.0663     0.0387     0.0046 
             1.4152     0.0196    -0.0012     0.0010 
             1.4966    -0.0031     0.0029    -0.0001 
             1.5779    -0.0037     0.0911     0.0021 
             1.6593     0.0036     0.2429     0.0064 
             1.7406     0.0094     0.3445     0.0095 
             1.8220     0.0093     0.2947     0.0083 
             1.9033     0.0039     0.1404     0.0039 
             1.9847    -0.0015     0.0143     0.0002 
             2.0660     0.0010    -0.0091    -0.0001 
             2.1474     0.0177     0.0660     0.0038 
             2.2287     0.0420     0.1789     0.0095 
             2.3101     0.0517     0.2222     0.0117 
             2.3914     0.0362     0.1477     0.0077 
             2.4728     0.0171     0.0547     0.0032 
             2.5541     0.0208     0.0916     0.0060 
             2.6355     0.0416     0.2714     0.0162 
             2.7168     0.0497     0.4194     0.0235 
             2.7982     0.0372     0.3847     0.0206 
             2.8795     0.0341     0.2832     0.0147 
             2.9609     0.0624     0.3332     0.0177 
             3.0423     0.0939     0.4937     0.0264 
             3.1236     0.0869     0.5205     0.0270 
             3.2050     0.0460     0.3361     0.0164 
             3.2863     0.0094     0.1059     0.0045 
             3.3677    -0.0042    -0.0209    -0.0014 
             3.4490    -0.0039    -0.0347    -0.0018 
             3.5304    -0.0015     0.0388     0.0019 
             3.6117    -0.0003     0.1752     0.0084 
             3.6931    -0.0001     0.2865     0.0137 
             3.7744    -0.0000     0.2972     0.0143 
             3.8558    -0.0000     0.2740     0.0134 
             3.9371    -0.0000     0.3001     0.0151 
             4.0185    -0.0000     0.3193     0.0168 
             4.0998    -0.0000     0.2713     0.0159 
             4.1812     0.0000     0.1950     0.0134 
             4.2625     0.0000     0.1248     0.0098 
             4.3439     0.0000     0.0780     0.0062 
             4.4252     0.0000     0.0989     0.0067 
             4.5066     0.0000     0.1745     0.0113 
             4.5880     0.0000     0.2110     0.0137 
             4.6693     0.0000     0.1799     0.0122 
             4.7507     0.0000     0.1515     0.0113 
             4.8320     0.0000     0.1544     0.0124 
             4.9134     0.0000     0.1611     0.0140 
             4.9947     0.0000     0.1825     0.0177 
             5.0761     0.0000     0.2155     0.0223 
             5.1574     0.0000     0.1947     0.0205 
             5.2388     0.0000     0.1059     0.0111 
             5.3201    -0.0000     0.0210     0.0022 
             5.4015    -0.0000    -0.0116    -0.0013 
             5.4828    -0.0000    -0.0043    -0.0003 
             5.5642    -0.0000     0.0186     0.0028 
             5.6455    -0.0000     0.0384     0.0055 
             5.7269    -0.0000     0.0393     0.0056 
             5.8082    -0.0002     0.0224     0.0031 
             5.8896    -0.0005     0.0049     0.0003 
             5.9709    -0.0010    -0.0026    -0.0011 
             6.0523     0.0000    -0.0018    -0.0003 
             6.1336     0.0055     0.0043     0.0042 
             6.2150     0.0145     0.0132     0.0113 
             6.2964     0.0195     0.0181     0.0152 
             6.3777     0.0144     0.0135     0.0111 
             6.4591     0.0050     0.0049     0.0038 
             6.5404     0.0046     0.0037     0.0039 
             6.6218     0.0183     0.0142     0.0160 
             6.7031     0.0346     0.0269     0.0302 
             6.7845     0.0357     0.0279     0.0321 
             6.8658     0.0226     0.0187     0.0232 
             6.9472     0.0160     0.0163     0.0190 
             7.0285     0.0335     0.0290     0.0251 
             7.1099     0.0712     0.0438     0.0316 
             7.1912     0.1024     0.0460     0.0314 
             7.2726     0.1033     0.0471     0.0316 
             7.3539     0.0849     0.0693     0.0433 
             7.4353     0.0694     0.0992     0.0590 
             7.5166     0.0612     0.1029     0.0618 
             7.5980     0.0721     0.0913     0.0598 
             7.6793     0.1144     0.0983     0.0699 
             7.7607     0.1527     0.1089     0.0767 
             7.8420     0.1359     0.0862     0.0577 
             7.9234     0.0732     0.0396     0.0244 
             8.0048     0.0170     0.0075     0.0027 
             8.0861    -0.0063     0.0052    -0.0016 
             8.1675    -0.0090     0.0178     0.0017 
             8.2488    -0.0053     0.0253     0.0044 
             8.3302     0.0071     0.0279     0.0078 
             8.4115     0.0332     0.0397     0.0162 
             8.4929     0.0586     0.0560     0.0251 
             8.5742     0.0613     0.0536     0.0249 
             8.6556     0.0472     0.0344     0.0189 
             8.7369     0.0406     0.0294     0.0211 
             8.8183     0.0436     0.0696     0.0394 
             8.8996     0.0446     0.1782     0.0805 
             8.9810     0.0443     0.3282     0.1398 
             9.0623     0.0424     0.3995     0.1730 
             9.1437     0.0301     0.3046     0.1368 
             9.2250     0.0118     0.1319     0.0644 
             9.3064     0.0050     0.0386     0.0331 
             9.3877     0.0168     0.0651     0.0639 
             9.4691     0.0352     0.1399     0.1076 
             9.5504     0.0466     0.1966     0.1204 
             9.6318     0.0524     0.2185     0.1122 
             9.7132     0.0573     0.2041     0.1034 
             9.7945     0.0592     0.1679     0.0930 
             9.8759     0.0682     0.1581     0.0866 
             9.9572     0.0975     0.1963     0.0955 
            10.0386     0.1303     0.2345     0.1072 
            10.1199     0.1386     0.2281     0.1053 
            10.2013     0.1188     0.1920     0.0934 
            10.2826     0.0828     0.1786     0.0906 
            10.3640     0.0543     0.2509     0.1223 
            10.4453     0.0566     0.3939     0.1803 
            10.5267     0.0742     0.4568     0.1999 
            10.6080     0.0679     0.3353     0.1416 
            10.6894     0.0349     0.1300     0.0521 
            10.7707     0.0059    -0.0027    -0.0034 
            10.8521    -0.0044    -0.0192    -0.0079 
            10.9334    -0.0047     0.0493     0.0271 
            11.0148    -0.0041     0.1481     0.0774 
            11.0961    -0.0007     0.1988     0.1026 
            11.1775     0.0130     0.1685     0.0833 
            11.2589     0.0367     0.1125     0.0480 
            11.3402     0.0589     0.0845     0.0266 
            11.4216     0.0737     0.0806     0.0181 
            11.5029     0.0816     0.0800     0.0127 
            11.5843     0.0729     0.0675     0.0080 
            11.6656     0.0432     0.0390     0.0039 
            11.7470     0.0122     0.0106     0.0008 
            11.8283    -0.0024    -0.0025    -0.0005 
            11.9097    -0.0037    -0.0035    -0.0005 
            11.9910    -0.0016    -0.0015    -0.0002 
            12.0724    -0.0004    -0.0004    -0.0000 
            12.1537    -0.0001    -0.0001    -0.0000 
            12.2351    -0.0000    -0.0000    -0.0000 
            12.3164    -0.0000    -0.0000    -0.0000 
            12.3978    -0.0000    -0.0000    -0.0000 
            12.4791    -0.0000    -0.0000    -0.0000 
            12.5605    -0.0000    -0.0000    -0.0000 
            12.6418    -0.0001    -0.0004    -0.0002 
            12.7232    -0.0003    -0.0019    -0.0011 
            12.8045    -0.0009    -0.0060    -0.0036 
            12.8859    -0.0014    -0.0097    -0.0058 
            12.9673     0.0005     0.0037     0.0027 
            13.0486     0.0077     0.0555     0.0347 
            13.1300     0.0191     0.1347     0.0827 
            13.2113     0.0292     0.1999     0.1180 
            13.2927     0.0355     0.2341     0.1281 
            13.3740     0.0368     0.2409     0.1194 
            13.4554     0.0292     0.2105     0.0938 
            13.5367     0.0146     0.1624     0.0620 
            13.6181     0.0028     0.1371     0.0440 
            13.6994    -0.0015     0.1185     0.0357 
            13.7808    -0.0016     0.0711     0.0213 
            13.8621    -0.0014     0.0229     0.0075 
            13.9435    -0.0017     0.0297     0.0134 
            14.0248     0.0008     0.0977     0.0395 
            14.1062     0.0100     0.1765     0.0641 
            14.1875     0.0235     0.2093     0.0668 
            14.2689     0.0294     0.1755     0.0484 
            14.3502     0.0214     0.0991     0.0237 
            14.4316     0.0079     0.0290     0.0056 
            14.5129    -0.0000    -0.0041    -0.0016 
            14.5943    -0.0015    -0.0081    -0.0021 
            14.6757    -0.0008    -0.0038    -0.0009 
            14.7570    -0.0002    -0.0010    -0.0002 
            14.8384    -0.0000    -0.0002    -0.0000 
            14.9197    -0.0000    -0.0000    -0.0000 
            15.0011    -0.0000    -0.0000    -0.0000 
            15.0824    -0.0000    -0.0000    -0.0000 
            15.1638    -0.0000    -0.0000    -0.0000 
            15.2451    -0.0000    -0.0000    -0.0000 
            15.3265    -0.0000    -0.0000    -0.0000 
            15.4078    -0.0000    -0.0000    -0.0000 
            15.4892    -0.0000    -0.0000    -0.0000 
            15.5705     0.0000     0.0000     0.0000 
            15.6519     0.0000     0.0000     0.0000 
            15.7332     0.0000     0.0000     0.0000 
            15.8146     0.0000     0.0000     0.0000 
            15.8959     0.0000     0.0000     0.0000 
            15.9773     0.0000     0.0000     0.0000 
            16.0586     0.0000     0.0000     0.0000 
            16.1400     0.0000     0.0000     0.0000 
            16.2213     0.0000     0.0000     0.0000 
       
      
     
    
   
  
  
   
    
     band
     kpoint
     spin
     eigene
     occ
     
      
       
           -6.1844    1.0000 
            5.6465    1.0081 
            5.6465    1.0080 
            5.6465    1.0080 
            8.1958   -0.0000 
            8.1958   -0.0000 
            8.1958   -0.0000 
            8.7648   -0.0000 
       
       
           -5.6765    1.0000 
            2.6534    1.0000 
            5.0724    1.0000 
            5.0724    1.0000 
            7.7924   -0.0000 
            8.9878   -0.0000 
            8.9879   -0.0000 
           11.5186    0.0000 
       
       
           -4.3432    1.0000 
           -0.5577    1.0000 
            4.5288    1.0000 
            4.5289    1.0000 
            7.1914   -0.0000 
            9.0687   -0.0000 
            9.0687   -0.0000 
           13.4425    0.0000 
       
       
           -5.5015    1.0000 
            3.0023    1.0000 
            4.1812    1.0000 
            4.1813    1.0000 
            7.1155   -0.0000 
            9.5001   -0.0000 
           10.4897   -0.0000 
           10.4898   -0.0000 
       
       
           -4.3821    1.0000 
            0.3695    1.0000 
            3.0565    1.0000 
            3.6795    1.0000 
            7.4318   -0.0000 
            9.7202   -0.0000 
           10.5123   -0.0000 
           11.0514   -0.0000 
       
       
           -3.5209    1.0000 
           -0.9910    1.0000 
            2.2626    1.0000 
            3.9543    1.0000 
            7.7036   -0.0000 
           10.1997   -0.0000 
           10.4313   -0.0000 
           13.1558    0.0000 
       
       
           -4.8608    1.0000 
            1.1876    1.0000 
            2.6994    1.0000 
            4.8075    1.0000 
            8.4931   -0.0000 
            9.6061   -0.0000 
            9.9291   -0.0000 
           11.3009    0.0000 
       
       
           -3.5207    1.0000 
           -0.5039    1.0000 
            2.9923    1.0000 
            2.9923    1.0000 
            6.2621   -0.0040 
            6.9971   -0.0000 
           14.0674    0.0000 
           14.0674    0.0000 
       
       
           -2.3448    1.0000 
           -1.7417    1.0000 
            1.6608    1.0000 
            3.1082    1.0000 
            6.7088   -0.0000 
            8.7983   -0.0000 
           13.6436    0.0000 
           14.2213    0.0000 
       
       
           -3.0941    1.0000 
           -0.8820    1.0000 
            1.7416    1.0000 
            2.7100    1.0000 
            9.0314   -0.0000 
            9.4352   -0.0000 
           10.0150   -0.0000 
           13.3613    0.0000 
       
      
     
    
   
   
    ion
    band
    kpoint
    spin
      s  
      p  
      d  
    
     
      
       
          0.2047  0.0000  0.0000 
          0.2047  0.0000  0.0000 
       
       
          0.0000  0.2116  0.0301 
          0.0000  0.2116  0.0301 
       
       
          0.0000  0.2116  0.0301 
          0.0000  0.2116  0.0301 
       
       
          0.0000  0.2116  0.0301 
          0.0000  0.2116  0.0301 
       
       
          0.0000  0.1490  0.0328 
          0.0000  0.1490  0.0328 
       
       
          0.0000  0.1490  0.0328 
          0.0000  0.1490  0.0328 
       
       
          0.0000  0.1490  0.0328 
          0.0000  0.1490  0.0328 
       
       
          0.3483  0.0000  0.0000 
          0.3483  0.0000  0.0000 
       
      
      
       
          0.2027  0.0053  0.0003 
          0.2027  0.0053  0.0003 
       
       
          0.0843  0.1285  0.0132 
          0.0843  0.1285  0.0132 
       
       
          0.0000  0.2083  0.0217 
          0.0000  0.2083  0.0217 
       
       
          0.0000  0.2083  0.0217 
          0.0000  0.2083  0.0217 
       
       
          0.1387  0.0608  0.0277 
          0.1387  0.0608  0.0277 
       
       
          0.0000  0.1481  0.0416 
          0.0000  0.1481  0.0416 
       
       
          0.0000  0.1481  0.0416 
          0.0000  0.1481  0.0416 
       
       
          0.1396  0.1315  0.0163 
          0.1396  0.1315  0.0163 
       
      
      
       
          0.2064  0.0143  0.0023 
          0.2064  0.0143  0.0023 
       
       
          0.1031  0.0935  0.0033 
          0.1031  0.0935  0.0033 
       
       
          0.0000  0.2121  0.0139 
          0.0000  0.2121  0.0139 
       
       
          0.0000  0.2121  0.0139 
          0.0000  0.2121  0.0139 
       
       
          0.1755  0.0249  0.0312 
          0.1755  0.0249  0.0312 
       
       
          0.0000  0.1012  0.0560 
          0.0000  0.1012  0.0560 
       
       
          0.0000  0.1012  0.0560 
          0.0000  0.1012  0.0560 
       
       
          0.0034  0.0712  0.0155 
          0.0034  0.0712  0.0155 
       
      
      
       
          0.2014  0.0074  0.0004 
          0.2014  0.0074  0.0004 
       
       
          0.1353  0.1111  0.0166 
          0.1353  0.1111  0.0166 
       
       
          0.0000  0.1955  0.0148 
          0.0000  0.1955  0.0148 
       
       
          0.0000  0.1955  0.0148 
          0.0000  0.1955  0.0148 
       
       
          0.0338  0.0909  0.0332 
          0.0338  0.0909  0.0332 
       
       
          0.0771  0.0545  0.0441 
          0.0771  0.0545  0.0441 
       
       
          0.0000  0.1648  0.0520 
          0.0000  0.1648  0.0520 
       
       
          0.0000  0.1648  0.0520 
          0.0000  0.1648  0.0520 
       
      
      
       
          0.1995  0.0177  0.0016 
          0.1995  0.0177  0.0016 
       
       
          0.1370  0.0875  0.0074 
          0.1370  0.0875  0.0074 
       
       
          0.0306  0.1583  0.0107 
          0.0306  0.1583  0.0107 
       
       
          0.0000  0.1970  0.0095 
          0.0000  0.1970  0.0095 
       
       
          0.0441  0.0698  0.0413 
          0.0441  0.0698  0.0413 
       
       
          0.0379  0.0740  0.0509 
          0.0379  0.0740  0.0509 
       
       
          0.0512  0.1163  0.0501 
          0.0512  0.1163  0.0501 
       
       
          0.0000  0.1259  0.0647 
          0.0000  0.1259  0.0647 
       
      
      
       
          0.2099  0.0199  0.0036 
          0.2099  0.0199  0.0036 
       
       
          0.1259  0.0807  0.0032 
          0.1259  0.0807  0.0032 
       
       
          0.0339  0.1473  0.0078 
          0.0339  0.1473  0.0078 
       
       
          0.0000  0.2031  0.0104 
          0.0000  0.2031  0.0104 
       
       
          0.0616  0.0561  0.0432 
          0.0616  0.0561  0.0432 
       
       
          0.0551  0.1007  0.0505 
          0.0551  0.1007  0.0505 
       
       
          0.0000  0.1105  0.0609 
          0.0000  0.1105  0.0609 
       
       
          0.0151  0.1075  0.0648 
          0.0151  0.1075  0.0648 
       
      
      
       
          0.2007  0.0131  0.0011 
          0.2007  0.0131  0.0011 
       
       
          0.1335  0.0966  0.0098 
          0.1335  0.0966  0.0098 
       
       
          0.0126  0.1592  0.0089 
          0.0126  0.1592  0.0089 
       
       
          0.0000  0.2124  0.0173 
          0.0000  0.2124  0.0173 
       
       
          0.0823  0.0811  0.0370 
          0.0823  0.0811  0.0370 
       
       
          0.0000  0.1473  0.0405 
          0.0000  0.1473  0.0405 
       
       
          0.0307  0.1147  0.0573 
          0.0307  0.1147  0.0573 
       
       
          0.0674  0.0989  0.0322 
          0.0674  0.0989  0.0322 
       
      
      
       
          0.1926  0.0286  0.0023 
          0.1926  0.0286  0.0023 
       
       
          0.1778  0.0619  0.0073 
          0.1778  0.0619  0.0073 
       
       
          0.0000  0.1931  0.0044 
          0.0000  0.1931  0.0044 
       
       
          0.0000  0.1931  0.0044 
          0.0000  0.1931  0.0044 
       
       
          0.0508  0.0468  0.0397 
          0.0508  0.0468  0.0397 
       
       
          0.0455  0.0314  0.0477 
          0.0455  0.0314  0.0477 
       
       
          0.0000  0.1691  0.0685 
          0.0000  0.1691  0.0685 
       
       
          0.0000  0.1691  0.0685 
          0.0000  0.1691  0.0685 
       
      
      
       
          0.2012  0.0351  0.0047 
          0.2012  0.0351  0.0047 
       
       
          0.1805  0.0500  0.0047 
          0.1805  0.0500  0.0047 
       
       
          0.0005  0.1570  0.0038 
          0.0005  0.1570  0.0038 
       
       
          0.0000  0.1949  0.0049 
          0.0000  0.1949  0.0049 
       
       
          0.0504  0.0395  0.0439 
          0.0504  0.0395  0.0439 
       
       
          0.0302  0.0794  0.0503 
          0.0302  0.0794  0.0503 
       
       
          0.0000  0.1648  0.0532 
          0.0000  0.1648  0.0532 
       
       
          0.0592  0.1404  0.0109 
          0.0150  0.1965  0.0684 
       
      
      
       
          0.1998  0.0289  0.0034 
          0.1998  0.0289  0.0034 
       
       
          0.1803  0.0583  0.0063 
          0.1803  0.0583  0.0063 
       
       
          0.0065  0.1541  0.0046 
          0.0065  0.1541  0.0046 
       
       
          0.0015  0.1706  0.0075 
          0.0015  0.1706  0.0075 
       
       
          0.0266  0.0959  0.0489 
          0.0266  0.0959  0.0489 
       
       
          0.0093  0.0720  0.0606 
          0.0093  0.0720  0.0606 
       
       
          0.0647  0.0972  0.0422 
          0.0647  0.0972  0.0422 
       
       
          0.0196  0.1203  0.0603 
          0.0196  0.1203  0.0603 
       
      
     
    
   
  
 
 
  
   
           0.00000000       2.73454742       2.73454742 
           2.73454742       0.00000000       2.73454742 
           2.73454742       2.73454742      -0.00000000 
   
        40.89652152 
   
          -0.18284561       0.18284561       0.18284561 
           0.18284561      -0.18284561       0.18284561 
           0.18284561       0.18284561      -0.18284561 
   
  
  
          0.37500000       0.37500000       0.37500000 
          0.62500000       0.62500000       0.62500000