vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 21:42:41) complex                          parallel 
  Lin64 
  2024 01 29 
  22:14:46 
 
 
  (Si)8  (Fd-3m) ~ Si  (CPU*4)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       3
       1
      245.34500000
        1.11000000
   F  
       1
        0.20000000
       1
   F  
   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  (CPU*4)
    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  
   
   
     F  
          0.00000000
      -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
        10.00000000
  
  
        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
  
  
        4
        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  
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        11.93245361
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    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 
         -0.00517320 
         13.29350502 
        206.12257231 
         -0.54423076 
         -0.53905756 
         -0.54250636 
   
  
  
   
   
   
        -10.81206907 
        -10.81236003 
        -10.81216605 
   
  
  
   
   
   
        -10.94551819 
        -10.94579706 
        -10.94561115 
   
  
  
   
   
   
        -10.94586937 
        -10.94614825 
        -10.94596233 
   
  
  
   
   
   
        -10.94586967 
        -10.94614854 
        -10.94596263 
   
  
  
   
   
   
        -10.81230159 
        -10.81259881 
        -10.81240066 
   
  
  
   
   
   
        -10.75176617 
        -10.75273244 
        -10.75208826 
   
  
  
   
   
   
        -10.75294909 
        -10.75379628 
        -10.75323149 
   
  
  
   
   
   
        -10.75317525 
        -10.75400599 
        -10.75345216 
   
  
  
   
   
   
        -10.75320324 
        -10.75402822 
        -10.75347823 
   
  
  
   
   
   
          3.38536887 
       -229.04312351 
        -14.97287887 
        -17.90724515 
       1051.23403812 
      -1016.28817570 
          0.00082374 
          6.71541725 
        206.12257231 
        -10.75320294 
        -10.75402668 
        -10.75347752 
   
  
  
   
    
            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 
  
  
         26.45533176      -0.00000000       0.00000000 
          0.00000000      26.45533176       0.00000000 
          0.00000000      -0.00000000      26.45533176 
  
  
       -10.75320294 
       -10.75402668 
       -10.75347752 
  
  
 
 
  
   
   
   
          3.22944129 
       -225.47118986 
        -14.74089168 
        -18.13853973 
       1051.32003425 
      -1016.37416588 
          0.00030397 
          3.28229387 
        206.12257231 
        -10.77014146 
        -10.77044544 
        -10.77024279 
   
  
  
   
   
   
        -10.76225305 
        -10.76258690 
        -10.76236433 
   
  
  
   
   
   
        -10.75812273 
        -10.75854125 
        -10.75826223 
   
  
  
   
   
   
          3.22944129 
       -225.47118986 
        -15.53176772 
        -18.11831153 
        947.70415830 
       -912.72564472 
          0.00041556 
          4.03219925 
        206.12257231 
        -10.75812713 
        -10.75854269 
        -10.75826565 
   
  
  
   
    
            0.00000000       2.75223620       2.75223620 
            2.75223620      -0.00000000       2.75223620 
            2.75223620       2.75223620       0.00000000 
    
         41.69529998 
    
           -0.18167045       0.18167045       0.18167045 
            0.18167045      -0.18167045       0.18167045 
            0.18167045       0.18167045      -0.18167045 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
          0.00000000       0.00000000       0.00000000 
         -0.00000000      -0.00000000      -0.00000000 
  
  
        -16.69674377      -0.00000000       0.00000000 
          0.00000000     -16.69674377       0.00000000 
          0.00000000      -0.00000000     -16.69674377 
  
  
       -10.75812713 
       -10.75854269 
       -10.75826565 
  
  
 
 
  
   
   
   
          3.29190222 
       -226.91553763 
        -15.63289316 
        -18.02908062 
        976.33715401 
       -941.35035437 
          0.00075362 
          5.41134501 
        206.12257231 
        -10.76413862 
        -10.76489223 
        -10.76438982 
   
  
  
   
   
   
        -10.76310204 
        -10.76373994 
        -10.76331468 
   
  
  
   
   
   
        -10.76241058 
        -10.76293925 
        -10.76258680 
   
  
  
   
   
   
          3.29190222 
       -226.91553763 
        -15.30609053 
        -18.03690846 
       1013.06214580 
       -978.08807234 
          0.00053010 
          5.10704631 
        206.12257231 
        -10.76241224 
        -10.76294233 
        -10.76258894 
   
  
  
   
    
            0.00000000       2.73471785       2.73471785 
            2.73471785      -0.00000000       2.73471785 
            2.73471785       2.73471785       0.00000000 
    
         40.90416858 
    
           -0.18283422       0.18283422       0.18283422 
            0.18283422      -0.18283422       0.18283422 
            0.18283422       0.18283422      -0.18283422 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
         -0.00000000      -0.00000000      -0.00000000 
          0.00000000       0.00000000       0.00000000 
  
  
         -0.32809244      -0.00000000      -0.00000000 
          0.00000000      -0.32809244      -0.00000000 
          0.00000000       0.00000000      -0.32809244 
  
  
       -10.76241224 
       -10.76294233 
       -10.76258894 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
          -6.1848    1.0000 
           5.6446    1.0080 
           5.6446    1.0079 
           5.6446    1.0079 
           8.1938   -0.0000 
           8.1938   -0.0000 
           8.1938   -0.0000 
           8.7620   -0.0000 
      
      
          -5.6770    1.0000 
           2.6519    1.0000 
           5.0706    1.0000 
           5.0706    1.0000 
           7.7904   -0.0000 
           8.9858   -0.0000 
           8.9858   -0.0000 
          11.5157    0.0000 
      
      
          -4.3439    1.0000 
          -0.5587    1.0000 
           4.5271    1.0000 
           4.5271    1.0000 
           7.1895   -0.0000 
           9.0668   -0.0000 
           9.0669   -0.0000 
          13.4404    0.0000 
      
      
          -5.5020    1.0000 
           3.0007    1.0000 
           4.1796    1.0000 
           4.1796    1.0000 
           7.1138   -0.0000 
           9.4981   -0.0000 
          10.4874   -0.0000 
          10.4874   -0.0000 
      
      
          -4.3828    1.0000 
           0.3683    1.0000 
           3.0551    1.0000 
           3.6779    1.0000 
           7.4302   -0.0000 
           9.7183   -0.0000 
          10.5100   -0.0000 
          11.0491   -0.0000 
      
      
          -3.5217    1.0000 
          -0.9919    1.0000 
           2.2613    1.0000 
           3.9527    1.0000 
           7.7019   -0.0000 
          10.1976   -0.0000 
          10.4292   -0.0000 
          13.1534    0.0000 
      
      
          -4.8614    1.0000 
           1.1862    1.0000 
           2.6981    1.0000 
           4.8057    1.0000 
           8.4910   -0.0000 
           9.6039   -0.0000 
           9.9270   -0.0000 
          11.2985    0.0000 
      
      
          -3.5214    1.0000 
          -0.5051    1.0000 
           2.9908    1.0000 
           2.9908    1.0000 
           6.2608   -0.0040 
           6.9957   -0.0000 
          14.0646    0.0000 
          14.0646    0.0000 
      
      
          -2.3458    1.0000 
          -1.7427    1.0000 
           1.6597    1.0000 
           3.1067    1.0000 
           6.7074   -0.0000 
           8.7965   -0.0000 
          13.6409    0.0000 
          14.2178    0.0000 
      
      
          -3.0949    1.0000 
          -0.8831    1.0000 
           1.7405    1.0000 
           2.7086    1.0000 
           9.0295   -0.0000 
           9.4335   -0.0000 
          10.0127   -0.0000 
          13.3587    0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000
  
  
         5.82078973 
   
    
     gridpoints
     spin
     energy
     total
     integrated
     
      
           -8.1848     0.0000     0.0000 
           -8.1035     0.0000     0.0000 
           -8.0222     0.0000     0.0000 
           -7.9408     0.0000     0.0000 
           -7.8595    -0.0000    -0.0000 
           -7.7781    -0.0000    -0.0000 
           -7.6968    -0.0000    -0.0000 
           -7.6154    -0.0000    -0.0000 
           -7.5341    -0.0000    -0.0000 
           -7.4528    -0.0000    -0.0000 
           -7.3714    -0.0000    -0.0000 
           -7.2901    -0.0000    -0.0000 
           -7.2087    -0.0000    -0.0000 
           -7.1274    -0.0000    -0.0000 
           -7.0460    -0.0000    -0.0000 
           -6.9647    -0.0000    -0.0000 
           -6.8834    -0.0000    -0.0000 
           -6.8020    -0.0000    -0.0000 
           -6.7207    -0.0001    -0.0000 
           -6.6393    -0.0005    -0.0000 
           -6.5580    -0.0018    -0.0002 
           -6.4766    -0.0034    -0.0005 
           -6.3953    -0.0001    -0.0005 
           -6.3140     0.0177     0.0010 
           -6.2326     0.0475     0.0048 
           -6.1513     0.0633     0.0100 
           -6.0699     0.0417     0.0134 
           -5.9886    -0.0043     0.0130 
           -5.9073    -0.0200     0.0114 
           -5.8259     0.0737     0.0174 
           -5.7446     0.3063     0.0423 
           -5.6632     0.5653     0.0883 
           -5.5819     0.6835     0.1439 
           -5.5005     0.6118     0.1936 
           -5.4192     0.4108     0.2271 
           -5.3379     0.1783     0.2416 
           -5.2565     0.0111     0.2425 
           -5.1752    -0.0611     0.2375 
           -5.0938    -0.0430     0.2340 
           -5.0125     0.1276     0.2444 
           -4.9311     0.4725     0.2828 
           -4.8498     0.7565     0.3444 
           -4.7685     0.6679     0.3987 
           -4.6871     0.2699     0.4206 
           -4.6058     0.0108     0.4215 
           -4.5244     0.3314     0.4485 
           -4.4431     1.2333     0.5488 
           -4.3618     2.0131     0.7126 
           -4.2804     1.8761     0.8652 
           -4.1991     0.9873     0.9455 
           -4.1177     0.1957     0.9614 
           -4.0364    -0.0967     0.9535 
           -3.9550    -0.1051     0.9450 
           -3.8737    -0.0985     0.9370 
           -3.7924    -0.1090     0.9281 
           -3.7110     0.0851     0.9350 
           -3.6297     0.7494     0.9960 
           -3.5483     1.6375     1.1292 
           -3.4670     1.9265     1.2859 
           -3.3856     1.2791     1.3899 
           -3.3043     0.4690     1.4281 
           -3.2230     0.4110     1.4615 
           -3.1416     1.0581     1.5476 
           -3.0603     1.5371     1.6726 
           -2.9789     1.2458     1.7739 
           -2.8976     0.5301     1.8170 
           -2.8162     0.0348     1.8199 
           -2.7349    -0.1003     1.8117 
           -2.6536    -0.0885     1.8045 
           -2.5722    -0.0342     1.8017 
           -2.4909     0.1517     1.8141 
           -2.4095     0.5029     1.8550 
           -2.3282     0.7768     1.9182 
           -2.2469     0.6896     1.9743 
           -2.1655     0.3308     2.0012 
           -2.0842     0.0239     2.0031 
           -2.0028    -0.0780     1.9968 
           -1.9215     0.0276     1.9990 
           -1.8401     0.3377     2.0265 
           -1.7588     0.6945     2.0830 
           -1.6775     0.7747     2.1460 
           -1.5961     0.4962     2.1864 
           -1.5148     0.1466     2.1983 
           -1.4334    -0.0369     2.1953 
           -1.3521    -0.0971     2.1874 
           -1.2707    -0.1351     2.1764 
           -1.1894    -0.0434     2.1729 
           -1.1081     0.4952     2.2131 
           -1.0267     1.5733     2.3411 
           -0.9454     2.5907     2.5519 
           -0.8640     2.6800     2.7699 
           -0.7827     1.7774     2.9144 
           -0.7014     0.7901     2.9787 
           -0.6200     0.4975     3.0192 
           -0.5387     0.7149     3.0773 
           -0.4573     0.7810     3.1408 
           -0.3760     0.4856     3.1803 
           -0.2946     0.1345     3.1913 
           -0.2133    -0.0281     3.1890 
           -0.1320    -0.0447     3.1854 
           -0.0506    -0.0392     3.1822 
            0.0307    -0.0669     3.1767 
            0.1121    -0.0758     3.1706 
            0.1934     0.1337     3.1814 
            0.2748     0.7315     3.2409 
            0.3561     1.4181     3.3563 
            0.4374     1.5369     3.4813 
            0.5188     0.9568     3.5591 
            0.6001     0.2727     3.5813 
            0.6815    -0.0498     3.5773 
            0.7628    -0.0854     3.5703 
            0.8442    -0.0620     3.5653 
            0.9255    -0.0468     3.5615 
            1.0068     0.0547     3.5659 
            1.0882     0.3444     3.5939 
            1.1695     0.6908     3.6501 
            1.2509     0.7571     3.7117 
            1.3322     0.4392     3.7474 
            1.4135     0.0499     3.7515 
            1.4949     0.0074     3.7521 
            1.5762     0.5632     3.7979 
            1.6576     1.5492     3.9239 
            1.7389     2.2181     4.1044 
            1.8203     1.9088     4.2596 
            1.9016     0.9138     4.3340 
            1.9829     0.0937     4.3416 
            2.0643    -0.0578     4.3369 
            2.1456     0.4482     4.3733 
            2.2270     1.2124     4.4720 
            2.3083     1.5126     4.5950 
            2.3897     1.0180     4.6778 
            2.4710     0.3887     4.7094 
            2.5523     0.5986     4.7581 
            2.6337     1.7186     4.8979 
            2.7150     2.6266     5.1115 
            2.7964     2.3853     5.3056 
            2.8777     1.7287     5.4462 
            2.9590     2.0018     5.6090 
            3.0404     2.9469     5.8487 
            3.1217     3.0815     6.0994 
            3.2031     1.9637     6.2591 
            3.2844     0.6042     6.3083 
            3.3658    -0.1224     6.2983 
            3.4471    -0.1975     6.2822 
            3.5284     0.1867     6.2974 
            3.6098     0.8860     6.3695 
            3.6911     1.4555     6.4879 
            3.7725     1.5063     6.6104 
            3.8538     1.3703     6.7219 
            3.9352     1.4799     6.8423 
            4.0165     1.5739     6.9703 
            4.0978     1.3515     7.0802 
            4.1792     0.9907     7.1608 
            4.2605     0.6464     7.2134 
            4.3419     0.3984     7.2458 
            4.4232     0.4722     7.2842 
            4.5045     0.8185     7.3508 
            4.5859     0.9921     7.4315 
            4.6672     0.8471     7.5004 
            4.7486     0.7126     7.5583 
            4.8299     0.7260     7.6174 
            4.9113     0.7611     7.6793 
            4.9926     0.8699     7.7501 
            5.0739     1.0337     7.8342 
            5.1553     0.9366     7.9103 
            5.2366     0.5107     7.9519 
            5.3180     0.1023     7.9602 
            5.3993    -0.0552     7.9557 
            5.4807    -0.0213     7.9540 
            5.5620     0.0871     7.9611 
            5.6433     0.1810     7.9758 
            5.7247     0.1854     7.9909 
            5.8060     0.1039     7.9993 
            5.8874     0.0151     8.0005 
            5.9687    -0.0284     7.9982 
            6.0501    -0.0093     7.9975 
            6.1314     0.1023     8.0058 
            6.2127     0.2834     8.0289 
            6.2941     0.3840     8.0601 
            6.3754     0.2844     8.0832 
            6.4568     0.1001     8.0914 
            6.5381     0.0889     8.0986 
            6.6194     0.3585     8.1278 
            6.7008     0.6841     8.1834 
            6.7821     0.7262     8.2425 
            6.8635     0.5111     8.2841 
            6.9448     0.4123     8.3176 
            7.0262     0.6008     8.3665 
            7.1075     0.8579     8.4362 
            7.1888     0.9353     8.5123 
            7.2702     0.9273     8.5877 
            7.3515     1.1293     8.6796 
            7.4329     1.4399     8.7967 
            7.5142     1.4766     8.9168 
            7.5956     1.4193     9.0323 
            7.6769     1.6885     9.1696 
            7.7582     1.9271     9.3264 
            7.8396     1.5275     9.4506 
            7.9209     0.7048     9.5080 
            8.0023     0.1146     9.5173 
            8.0836    -0.0231     9.5154 
            8.1649     0.0628     9.5205 
            8.2463     0.1399     9.5319 
            8.3276     0.2249     9.5502 
            8.4090     0.4458     9.5865 
            8.4903     0.6908     9.6427 
            8.5717     0.6891     9.6987 
            8.6530     0.5050     9.7398 
            8.7343     0.4928     9.7799 
            8.8157     0.8603     9.8498 
            8.8970     1.7181     9.9896 
            8.9784     2.9261    10.2276 
            9.0597     3.5582    10.5170 
            9.1411     2.7698    10.7423 
            9.2224     1.2607    10.8449 
            9.3037     0.5398    10.8888 
            9.3851     1.0366    10.9731 
            9.4664     1.8866    11.1266 
            9.5478     2.2910    11.3129 
            9.6291     2.3012    11.5001 
            9.7105     2.1620    11.6760 
            9.7918     1.8787    11.8288 
            9.8731     1.7075    11.9677 
            9.9545     1.9503    12.1263 
           10.0358     2.2947    12.3130 
           10.1172     2.2822    12.4986 
           10.1985     1.9612    12.6581 
           10.2798     1.7552    12.8009 
           10.3612     2.2023    12.9801 
           10.4425     3.2283    13.2427 
           10.5239     3.6590    13.5403 
           10.6052     2.6635    13.7569 
           10.6866     1.0276    13.8405 
           10.7679    -0.0241    13.8386 
           10.8492    -0.1567    13.8258 
           10.9306     0.3806    13.8568 
           11.0119     1.1618    13.9513 
           11.0933     1.5807    14.0799 
           11.1746     1.3935    14.1932 
           11.2560     1.0262    14.2767 
           11.3373     0.8418    14.3452 
           11.4186     0.7632    14.4072 
           11.5000     0.6700    14.4617 
           11.5813     0.5163    14.5037 
           11.6627     0.2860    14.5270 
           11.7440     0.0747    14.5331 
           11.8253    -0.0209    14.5314 
           11.9067    -0.0268    14.5292 
           11.9880    -0.0114    14.5283 
           12.0694    -0.0028    14.5280 
           12.1507    -0.0005    14.5280 
           12.2321    -0.0000    14.5280 
           12.3134    -0.0000    14.5280 
           12.3947    -0.0000    14.5280 
           12.4761    -0.0000    14.5280 
           12.5574    -0.0005    14.5280 
           12.6388    -0.0034    14.5277 
           12.7201    -0.0175    14.5263 
           12.8015    -0.0557    14.5217 
           12.8828    -0.0900    14.5144 
           12.9641     0.0350    14.5173 
           13.0455     0.5163    14.5592 
           13.1268     1.2460    14.6606 
           13.2082     1.8236    14.8089 
           13.2895     2.1077    14.9804 
           13.3709     2.1872    15.1583 
           13.4522     1.9466    15.3166 
           13.5335     1.4270    15.4327 
           13.6149     0.9955    15.5137 
           13.6962     0.7228    15.5725 
           13.7776     0.4030    15.6053 
           13.8589     0.1222    15.6152 
           13.9402     0.1682    15.6289 
           14.0216     0.5744    15.6756 
           14.1029     1.0453    15.7606 
           14.1843     1.2429    15.8617 
           14.2656     1.0426    15.9466 
           14.3470     0.5881    15.9944 
           14.4283     0.1716    16.0083 
           14.5096    -0.0246    16.0063 
           14.5910    -0.0481    16.0024 
           14.6723    -0.0226    16.0006 
           14.7537    -0.0061    16.0001 
           14.8350    -0.0011    16.0000 
           14.9164    -0.0001    16.0000 
           14.9977    -0.0000    16.0000 
           15.0790    -0.0000    16.0000 
           15.1604    -0.0000    16.0000 
           15.2417    -0.0000    16.0000 
           15.3231    -0.0000    16.0000 
           15.4044    -0.0000    16.0000 
           15.4857    -0.0000    16.0000 
           15.5671     0.0000    16.0000 
           15.6484     0.0000    16.0000 
           15.7298     0.0000    16.0000 
           15.8111     0.0000    16.0000 
           15.8925     0.0000    16.0000 
           15.9738     0.0000    16.0000 
           16.0551     0.0000    16.0000 
           16.1365     0.0000    16.0000 
           16.2178     0.0000    16.0000 
      
     
    
   
   
    
     gridpoints
     spin
     ion
     energy
       s  
       p  
       d  
     
      
       
            -8.1848     0.0000     0.0000     0.0000 
            -8.1035     0.0000     0.0000     0.0000 
            -8.0222     0.0000     0.0000     0.0000 
            -7.9408     0.0000     0.0000     0.0000 
            -7.8595    -0.0000    -0.0000    -0.0000 
            -7.7781    -0.0000    -0.0000    -0.0000 
            -7.6968    -0.0000    -0.0000    -0.0000 
            -7.6154    -0.0000    -0.0000    -0.0000 
            -7.5341    -0.0000    -0.0000    -0.0000 
            -7.4528    -0.0000    -0.0000    -0.0000 
            -7.3714    -0.0000    -0.0000    -0.0000 
            -7.2901    -0.0000    -0.0000    -0.0000 
            -7.2087    -0.0000    -0.0000    -0.0000 
            -7.1274    -0.0000    -0.0000    -0.0000 
            -7.0460    -0.0000    -0.0000    -0.0000 
            -6.9647    -0.0000    -0.0000    -0.0000 
            -6.8834    -0.0000    -0.0000    -0.0000 
            -6.8020    -0.0000    -0.0000    -0.0000 
            -6.7207    -0.0000    -0.0000    -0.0000 
            -6.6393    -0.0001    -0.0000    -0.0000 
            -6.5580    -0.0004    -0.0000    -0.0000 
            -6.4766    -0.0007    -0.0000    -0.0000 
            -6.3953    -0.0000    -0.0000    -0.0000 
            -6.3140     0.0036    -0.0000    -0.0000 
            -6.2326     0.0097    -0.0000    -0.0000 
            -6.1513     0.0130    -0.0000    -0.0000 
            -6.0699     0.0085    -0.0001    -0.0000 
            -5.9886    -0.0008    -0.0001    -0.0000 
            -5.9073    -0.0040    -0.0001    -0.0000 
            -5.8259     0.0149     0.0004     0.0000 
            -5.7446     0.0621     0.0016     0.0001 
            -5.6632     0.1145     0.0031     0.0002 
            -5.5819     0.1382     0.0041     0.0002 
            -5.5005     0.1235     0.0040     0.0002 
            -5.4192     0.0828     0.0029     0.0002 
            -5.3379     0.0359     0.0014     0.0001 
            -5.2565     0.0022     0.0000    -0.0000 
            -5.1752    -0.0123    -0.0006    -0.0001 
            -5.0938    -0.0086    -0.0005    -0.0000 
            -5.0125     0.0256     0.0017     0.0001 
            -4.9311     0.0948     0.0062     0.0005 
            -4.8498     0.1518     0.0098     0.0008 
            -4.7685     0.1340     0.0086     0.0007 
            -4.6871     0.0541     0.0031     0.0002 
            -4.6058     0.0021    -0.0000    -0.0000 
            -4.5244     0.0663     0.0059     0.0006 
            -4.4431     0.2476     0.0212     0.0022 
            -4.3618     0.4048     0.0341     0.0036 
            -4.2804     0.3779     0.0315     0.0034 
            -4.1991     0.1993     0.0163     0.0018 
            -4.1177     0.0398     0.0031     0.0004 
            -4.0364    -0.0194    -0.0017    -0.0002 
            -3.9550    -0.0213    -0.0019    -0.0002 
            -3.8737    -0.0202    -0.0020    -0.0003 
            -3.7924    -0.0225    -0.0023    -0.0004 
            -3.7110     0.0176     0.0018     0.0003 
            -3.6297     0.1547     0.0162     0.0025 
            -3.5483     0.3382     0.0354     0.0054 
            -3.4670     0.3980     0.0414     0.0064 
            -3.3856     0.2646     0.0271     0.0042 
            -3.3043     0.0968     0.0102     0.0016 
            -3.2230     0.0820     0.0120     0.0014 
            -3.1416     0.2108     0.0313     0.0036 
            -3.0603     0.3068     0.0448     0.0053 
            -2.9789     0.2489     0.0361     0.0043 
            -2.8976     0.1059     0.0153     0.0018 
            -2.8162     0.0069     0.0010     0.0001 
            -2.7349    -0.0201    -0.0030    -0.0004 
            -2.6536    -0.0177    -0.0028    -0.0004 
            -2.5722    -0.0069    -0.0011    -0.0001 
            -2.4909     0.0305     0.0053     0.0007 
            -2.4095     0.1012     0.0177     0.0024 
            -2.3282     0.1563     0.0273     0.0036 
            -2.2469     0.1388     0.0242     0.0032 
            -2.1655     0.0668     0.0115     0.0016 
            -2.0842     0.0054     0.0004     0.0001 
            -2.0028    -0.0149    -0.0033    -0.0004 
            -1.9215     0.0044     0.0018     0.0001 
            -1.8401     0.0607     0.0170     0.0016 
            -1.7588     0.1253     0.0347     0.0032 
            -1.6775     0.1398     0.0387     0.0036 
            -1.5961     0.0896     0.0248     0.0023 
            -1.5148     0.0266     0.0072     0.0007 
            -1.4334    -0.0058    -0.0023    -0.0002 
            -1.3521    -0.0148    -0.0065    -0.0004 
            -1.2707    -0.0199    -0.0096    -0.0006 
            -1.1894    -0.0099    -0.0016    -0.0004 
            -1.1081     0.0604     0.0408     0.0015 
            -1.0267     0.2155     0.1197     0.0061 
            -0.9454     0.3818     0.1860     0.0115 
            -0.8640     0.4222     0.1811     0.0134 
            -0.7827     0.2977     0.1128     0.0099 
            -0.7014     0.1340     0.0499     0.0047 
            -0.6200     0.0674     0.0397     0.0025 
            -0.5387     0.0903     0.0602     0.0034 
            -0.4573     0.1053     0.0627     0.0040 
            -0.3760     0.0700     0.0370     0.0027 
            -0.2946     0.0215     0.0094     0.0009 
            -0.2133    -0.0030    -0.0026    -0.0001 
            -0.1320    -0.0063    -0.0035    -0.0002 
            -0.0506    -0.0056    -0.0032    -0.0003 
             0.0307    -0.0092    -0.0058    -0.0005 
             0.1121    -0.0104    -0.0066    -0.0006 
             0.1934     0.0183     0.0117     0.0010 
             0.2748     0.1002     0.0640     0.0054 
             0.3561     0.1942     0.1241     0.0105 
             0.4374     0.2105     0.1345     0.0113 
             0.5188     0.1311     0.0837     0.0071 
             0.6001     0.0373     0.0239     0.0020 
             0.6815    -0.0068    -0.0044    -0.0004 
             0.7628    -0.0117    -0.0076    -0.0007 
             0.8442    -0.0084    -0.0057    -0.0005 
             0.9255    -0.0063    -0.0044    -0.0004 
             1.0068     0.0073     0.0053     0.0005 
             1.0882     0.0460     0.0332     0.0034 
             1.1695     0.0927     0.0665     0.0068 
             1.2509     0.1035     0.0720     0.0075 
             1.3322     0.0665     0.0389     0.0046 
             1.4135     0.0198    -0.0011     0.0010 
             1.4949    -0.0030     0.0026    -0.0001 
             1.5762    -0.0037     0.0902     0.0021 
             1.6576     0.0035     0.2419     0.0064 
             1.7389     0.0094     0.3442     0.0095 
             1.8203     0.0094     0.2956     0.0083 
             1.9016     0.0039     0.1415     0.0039 
             1.9829    -0.0015     0.0149     0.0002 
             2.0643     0.0009    -0.0093    -0.0001 
             2.1456     0.0175     0.0654     0.0038 
             2.2270     0.0419     0.1783     0.0095 
             2.3083     0.0517     0.2223     0.0117 
             2.3897     0.0363     0.1483     0.0078 
             2.4710     0.0172     0.0550     0.0032 
             2.5523     0.0207     0.0909     0.0060 
             2.6337     0.0415     0.2702     0.0161 
             2.7150     0.0497     0.4190     0.0235 
             2.7964     0.0372     0.3853     0.0206 
             2.8777     0.0341     0.2838     0.0147 
             2.9590     0.0622     0.3327     0.0177 
             3.0404     0.0938     0.4931     0.0263 
             3.1217     0.0870     0.5208     0.0270 
             3.2031     0.0461     0.3373     0.0165 
             3.2844     0.0095     0.1069     0.0045 
             3.3658    -0.0041    -0.0206    -0.0014 
             3.4471    -0.0039    -0.0348    -0.0018 
             3.5284    -0.0015     0.0383     0.0019 
             3.6098    -0.0003     0.1745     0.0084 
             3.6911    -0.0001     0.2862     0.0137 
             3.7725    -0.0000     0.2973     0.0143 
             3.8538    -0.0000     0.2741     0.0134 
             3.9352    -0.0000     0.3000     0.0151 
             4.0165    -0.0000     0.3193     0.0168 
             4.0978    -0.0000     0.2715     0.0159 
             4.1792     0.0000     0.1953     0.0135 
             4.2605     0.0000     0.1251     0.0098 
             4.3419     0.0000     0.0781     0.0062 
             4.4232     0.0000     0.0988     0.0067 
             4.5045     0.0000     0.1742     0.0113 
             4.5859     0.0000     0.2110     0.0137 
             4.6672     0.0000     0.1800     0.0122 
             4.7486     0.0000     0.1515     0.0113 
             4.8299     0.0000     0.1544     0.0124 
             4.9113     0.0000     0.1611     0.0140 
             4.9926     0.0000     0.1824     0.0177 
             5.0739     0.0000     0.2155     0.0223 
             5.1553     0.0000     0.1949     0.0205 
             5.2366     0.0000     0.1062     0.0112 
             5.3180    -0.0000     0.0212     0.0022 
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             5.4807    -0.0000    -0.0044    -0.0003 
             5.5620    -0.0000     0.0185     0.0028 
             5.6433    -0.0000     0.0383     0.0055 
             5.7247    -0.0000     0.0393     0.0056 
             5.8060    -0.0001     0.0225     0.0031 
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             5.9687    -0.0010    -0.0026    -0.0011 
             6.0501    -0.0000    -0.0019    -0.0003 
             6.1314     0.0054     0.0042     0.0041 
             6.2127     0.0144     0.0132     0.0112 
             6.2941     0.0195     0.0180     0.0152 
             6.3754     0.0145     0.0136     0.0111 
             6.4568     0.0051     0.0050     0.0038 
             6.5381     0.0045     0.0036     0.0038 
             6.6194     0.0181     0.0140     0.0158 
             6.7008     0.0344     0.0268     0.0301 
             6.7821     0.0358     0.0279     0.0321 
             6.8635     0.0227     0.0188     0.0233 
             6.9448     0.0160     0.0162     0.0190 
             7.0262     0.0334     0.0288     0.0250 
             7.1075     0.0710     0.0437     0.0316 
             7.1888     0.1023     0.0461     0.0314 
             7.2702     0.1034     0.0470     0.0315 
             7.3515     0.0849     0.0690     0.0431 
             7.4329     0.0694     0.0990     0.0589 
             7.5142     0.0612     0.1030     0.0618 
             7.5956     0.0719     0.0914     0.0598 
             7.6769     0.1141     0.0983     0.0698 
             7.7582     0.1527     0.1090     0.0767 
             7.8396     0.1364     0.0866     0.0579 
             7.9209     0.0737     0.0400     0.0247 
             8.0023     0.0173     0.0076     0.0028 
             8.0836    -0.0063     0.0051    -0.0016 
             8.1649    -0.0090     0.0177     0.0017 
             8.2463    -0.0053     0.0253     0.0044 
             8.3276     0.0070     0.0278     0.0077 
             8.4090     0.0330     0.0396     0.0161 
             8.4903     0.0585     0.0559     0.0251 
             8.5717     0.0614     0.0537     0.0249 
             8.6530     0.0474     0.0345     0.0189 
             8.7343     0.0407     0.0293     0.0210 
             8.8157     0.0436     0.0690     0.0392 
             8.8970     0.0445     0.1771     0.0800 
             8.9784     0.0442     0.3271     0.1393 
             9.0597     0.0425     0.3996     0.1730 
             9.1411     0.0303     0.3060     0.1373 
             9.2224     0.0119     0.1333     0.0650 
             9.3037     0.0050     0.0388     0.0329 
             9.3851     0.0166     0.0645     0.0634 
             9.4664     0.0351     0.1394     0.1073 
             9.5478     0.0466     0.1965     0.1205 
             9.6291     0.0524     0.2186     0.1123 
             9.7105     0.0573     0.2044     0.1034 
             9.7918     0.0593     0.1682     0.0931 
             9.8731     0.0682     0.1582     0.0866 
             9.9545     0.0974     0.1962     0.0954 
            10.0358     0.1301     0.2345     0.1072 
            10.1172     0.1386     0.2283     0.1053 
            10.1985     0.1190     0.1923     0.0934 
            10.2798     0.0831     0.1784     0.0905 
            10.3612     0.0544     0.2500     0.1219 
            10.4425     0.0565     0.3931     0.1799 
            10.5239     0.0741     0.4572     0.2001 
            10.6052     0.0680     0.3367     0.1422 
            10.6866     0.0352     0.1313     0.0527 
            10.7679     0.0060    -0.0023    -0.0032 
            10.8492    -0.0044    -0.0195    -0.0080 
            10.9306    -0.0047     0.0485     0.0267 
            11.0119    -0.0041     0.1474     0.0770 
            11.0933    -0.0007     0.1988     0.1025 
            11.1746     0.0129     0.1690     0.0836 
            11.2560     0.0366     0.1129     0.0482 
            11.3373     0.0589     0.0848     0.0267 
            11.4186     0.0738     0.0809     0.0182 
            11.5000     0.0817     0.0802     0.0127 
            11.5813     0.0729     0.0675     0.0080 
            11.6627     0.0432     0.0390     0.0039 
            11.7440     0.0122     0.0106     0.0008 
            11.8253    -0.0024    -0.0025    -0.0005 
            11.9067    -0.0037    -0.0035    -0.0005 
            11.9880    -0.0016    -0.0015    -0.0002 
            12.0694    -0.0004    -0.0004    -0.0000 
            12.1507    -0.0001    -0.0001    -0.0000 
            12.2321    -0.0000    -0.0000    -0.0000 
            12.3134    -0.0000    -0.0000    -0.0000 
            12.3947    -0.0000    -0.0000    -0.0000 
            12.4761    -0.0000    -0.0000    -0.0000 
            12.5574    -0.0000    -0.0000    -0.0000 
            12.6388    -0.0001    -0.0004    -0.0002 
            12.7201    -0.0003    -0.0019    -0.0011 
            12.8015    -0.0008    -0.0060    -0.0036 
            12.8828    -0.0014    -0.0098    -0.0058 
            12.9641     0.0004     0.0034     0.0025 
            13.0455     0.0076     0.0549     0.0343 
            13.1268     0.0190     0.1341     0.0822 
            13.2082     0.0291     0.1996     0.1178 
            13.2895     0.0355     0.2341     0.1281 
            13.3709     0.0369     0.2411     0.1195 
            13.4522     0.0293     0.2111     0.0940 
            13.5335     0.0147     0.1630     0.0622 
            13.6149     0.0029     0.1374     0.0441 
            13.6962    -0.0015     0.1187     0.0357 
            13.7776    -0.0016     0.0714     0.0214 
            13.8589    -0.0014     0.0230     0.0076 
            13.9402    -0.0017     0.0294     0.0133 
            14.0216     0.0008     0.0975     0.0394 
            14.1029     0.0101     0.1770     0.0638 
            14.1843     0.0236     0.2106     0.0663 
            14.2656     0.0296     0.1768     0.0478 
            14.3470     0.0214     0.0998     0.0232 
            14.4283     0.0080     0.0292     0.0054 
            14.5096    -0.0000    -0.0042    -0.0017 
            14.5910    -0.0015    -0.0082    -0.0021 
            14.6723    -0.0008    -0.0038    -0.0009 
            14.7537    -0.0002    -0.0010    -0.0002 
            14.8350    -0.0000    -0.0002    -0.0000 
            14.9164    -0.0000    -0.0000    -0.0000 
            14.9977    -0.0000    -0.0000    -0.0000 
            15.0790    -0.0000    -0.0000    -0.0000 
            15.1604    -0.0000    -0.0000    -0.0000 
            15.2417    -0.0000    -0.0000    -0.0000 
            15.3231    -0.0000    -0.0000    -0.0000 
            15.4044    -0.0000    -0.0000    -0.0000 
            15.4857    -0.0000    -0.0000    -0.0000 
            15.5671     0.0000     0.0000     0.0000 
            15.6484     0.0000     0.0000     0.0000 
            15.7298     0.0000     0.0000     0.0000 
            15.8111     0.0000     0.0000     0.0000 
            15.8925     0.0000     0.0000     0.0000 
            15.9738     0.0000     0.0000     0.0000 
            16.0551     0.0000     0.0000     0.0000 
            16.1365     0.0000     0.0000     0.0000 
            16.2178     0.0000     0.0000     0.0000 
       
      
      
       
            -8.1848     0.0000     0.0000     0.0000 
            -8.1035     0.0000     0.0000     0.0000 
            -8.0222     0.0000     0.0000     0.0000 
            -7.9408     0.0000     0.0000     0.0000 
            -7.8595    -0.0000    -0.0000    -0.0000 
            -7.7781    -0.0000    -0.0000    -0.0000 
            -7.6968    -0.0000    -0.0000    -0.0000 
            -7.6154    -0.0000    -0.0000    -0.0000 
            -7.5341    -0.0000    -0.0000    -0.0000 
            -7.4528    -0.0000    -0.0000    -0.0000 
            -7.3714    -0.0000    -0.0000    -0.0000 
            -7.2901    -0.0000    -0.0000    -0.0000 
            -7.2087    -0.0000    -0.0000    -0.0000 
            -7.1274    -0.0000    -0.0000    -0.0000 
            -7.0460    -0.0000    -0.0000    -0.0000 
            -6.9647    -0.0000    -0.0000    -0.0000 
            -6.8834    -0.0000    -0.0000    -0.0000 
            -6.8020    -0.0000    -0.0000    -0.0000 
            -6.7207    -0.0000    -0.0000    -0.0000 
            -6.6393    -0.0001    -0.0000    -0.0000 
            -6.5580    -0.0004    -0.0000    -0.0000 
            -6.4766    -0.0007    -0.0000    -0.0000 
            -6.3953    -0.0000    -0.0000    -0.0000 
            -6.3140     0.0036    -0.0000    -0.0000 
            -6.2326     0.0097    -0.0000    -0.0000 
            -6.1513     0.0130    -0.0000    -0.0000 
            -6.0699     0.0085    -0.0001    -0.0000 
            -5.9886    -0.0008    -0.0001    -0.0000 
            -5.9073    -0.0040    -0.0001    -0.0000 
            -5.8259     0.0149     0.0004     0.0000 
            -5.7446     0.0621     0.0016     0.0001 
            -5.6632     0.1145     0.0031     0.0002 
            -5.5819     0.1382     0.0041     0.0002 
            -5.5005     0.1235     0.0040     0.0002 
            -5.4192     0.0828     0.0029     0.0002 
            -5.3379     0.0359     0.0014     0.0001 
            -5.2565     0.0022     0.0000    -0.0000 
            -5.1752    -0.0123    -0.0006    -0.0001 
            -5.0938    -0.0086    -0.0005    -0.0000 
            -5.0125     0.0256     0.0017     0.0001 
            -4.9311     0.0948     0.0062     0.0005 
            -4.8498     0.1518     0.0098     0.0008 
            -4.7685     0.1340     0.0086     0.0007 
            -4.6871     0.0541     0.0031     0.0002 
            -4.6058     0.0021    -0.0000    -0.0000 
            -4.5244     0.0663     0.0059     0.0006 
            -4.4431     0.2476     0.0212     0.0022 
            -4.3618     0.4048     0.0341     0.0036 
            -4.2804     0.3779     0.0315     0.0034 
            -4.1991     0.1993     0.0163     0.0018 
            -4.1177     0.0398     0.0031     0.0004 
            -4.0364    -0.0194    -0.0017    -0.0002 
            -3.9550    -0.0213    -0.0019    -0.0002 
            -3.8737    -0.0202    -0.0020    -0.0003 
            -3.7924    -0.0225    -0.0023    -0.0004 
            -3.7110     0.0176     0.0018     0.0003 
            -3.6297     0.1547     0.0162     0.0025 
            -3.5483     0.3382     0.0354     0.0054 
            -3.4670     0.3980     0.0414     0.0064 
            -3.3856     0.2646     0.0271     0.0042 
            -3.3043     0.0968     0.0102     0.0016 
            -3.2230     0.0820     0.0120     0.0014 
            -3.1416     0.2108     0.0313     0.0036 
            -3.0603     0.3068     0.0448     0.0053 
            -2.9789     0.2489     0.0361     0.0043 
            -2.8976     0.1059     0.0153     0.0018 
            -2.8162     0.0069     0.0010     0.0001 
            -2.7349    -0.0201    -0.0030    -0.0004 
            -2.6536    -0.0177    -0.0028    -0.0004 
            -2.5722    -0.0069    -0.0011    -0.0001 
            -2.4909     0.0305     0.0053     0.0007 
            -2.4095     0.1012     0.0177     0.0024 
            -2.3282     0.1563     0.0273     0.0036 
            -2.2469     0.1388     0.0242     0.0032 
            -2.1655     0.0668     0.0115     0.0016 
            -2.0842     0.0054     0.0004     0.0001 
            -2.0028    -0.0149    -0.0033    -0.0004 
            -1.9215     0.0044     0.0018     0.0001 
            -1.8401     0.0607     0.0170     0.0016 
            -1.7588     0.1253     0.0347     0.0032 
            -1.6775     0.1398     0.0387     0.0036 
            -1.5961     0.0896     0.0248     0.0023 
            -1.5148     0.0266     0.0072     0.0007 
            -1.4334    -0.0058    -0.0023    -0.0002 
            -1.3521    -0.0148    -0.0065    -0.0004 
            -1.2707    -0.0199    -0.0096    -0.0006 
            -1.1894    -0.0099    -0.0016    -0.0004 
            -1.1081     0.0604     0.0408     0.0015 
            -1.0267     0.2155     0.1197     0.0061 
            -0.9454     0.3818     0.1860     0.0115 
            -0.8640     0.4222     0.1811     0.0134 
            -0.7827     0.2977     0.1128     0.0099 
            -0.7014     0.1340     0.0499     0.0047 
            -0.6200     0.0674     0.0397     0.0025 
            -0.5387     0.0903     0.0602     0.0034 
            -0.4573     0.1053     0.0627     0.0040 
            -0.3760     0.0700     0.0370     0.0027 
            -0.2946     0.0215     0.0094     0.0009 
            -0.2133    -0.0030    -0.0026    -0.0001 
            -0.1320    -0.0063    -0.0035    -0.0002 
            -0.0506    -0.0056    -0.0032    -0.0003 
             0.0307    -0.0092    -0.0058    -0.0005 
             0.1121    -0.0104    -0.0066    -0.0006 
             0.1934     0.0183     0.0117     0.0010 
             0.2748     0.1002     0.0640     0.0054 
             0.3561     0.1942     0.1241     0.0105 
             0.4374     0.2105     0.1345     0.0113 
             0.5188     0.1311     0.0837     0.0071 
             0.6001     0.0373     0.0239     0.0020 
             0.6815    -0.0068    -0.0044    -0.0004 
             0.7628    -0.0117    -0.0076    -0.0007 
             0.8442    -0.0084    -0.0057    -0.0005 
             0.9255    -0.0063    -0.0044    -0.0004 
             1.0068     0.0073     0.0053     0.0005 
             1.0882     0.0460     0.0332     0.0034 
             1.1695     0.0927     0.0665     0.0068 
             1.2509     0.1035     0.0720     0.0075 
             1.3322     0.0665     0.0389     0.0046 
             1.4135     0.0198    -0.0011     0.0010 
             1.4949    -0.0030     0.0026    -0.0001 
             1.5762    -0.0037     0.0902     0.0021 
             1.6576     0.0035     0.2419     0.0064 
             1.7389     0.0094     0.3442     0.0095 
             1.8203     0.0094     0.2956     0.0083 
             1.9016     0.0039     0.1415     0.0039 
             1.9829    -0.0015     0.0149     0.0002 
             2.0643     0.0009    -0.0093    -0.0001 
             2.1456     0.0175     0.0654     0.0038 
             2.2270     0.0419     0.1783     0.0095 
             2.3083     0.0517     0.2223     0.0117 
             2.3897     0.0363     0.1483     0.0078 
             2.4710     0.0172     0.0550     0.0032 
             2.5523     0.0207     0.0909     0.0060 
             2.6337     0.0415     0.2702     0.0161 
             2.7150     0.0497     0.4190     0.0235 
             2.7964     0.0372     0.3853     0.0206 
             2.8777     0.0341     0.2838     0.0147 
             2.9590     0.0622     0.3327     0.0177 
             3.0404     0.0938     0.4931     0.0263 
             3.1217     0.0870     0.5208     0.0270 
             3.2031     0.0461     0.3373     0.0165 
             3.2844     0.0095     0.1069     0.0045 
             3.3658    -0.0041    -0.0206    -0.0014 
             3.4471    -0.0039    -0.0348    -0.0018 
             3.5284    -0.0015     0.0383     0.0019 
             3.6098    -0.0003     0.1745     0.0084 
             3.6911    -0.0001     0.2862     0.0137 
             3.7725    -0.0000     0.2973     0.0143 
             3.8538    -0.0000     0.2741     0.0134 
             3.9352    -0.0000     0.3000     0.0151 
             4.0165    -0.0000     0.3193     0.0168 
             4.0978    -0.0000     0.2715     0.0159 
             4.1792     0.0000     0.1953     0.0135 
             4.2605     0.0000     0.1251     0.0098 
             4.3419     0.0000     0.0781     0.0062 
             4.4232     0.0000     0.0988     0.0067 
             4.5045     0.0000     0.1742     0.0113 
             4.5859     0.0000     0.2110     0.0137 
             4.6672     0.0000     0.1800     0.0122 
             4.7486     0.0000     0.1515     0.0113 
             4.8299     0.0000     0.1544     0.0124 
             4.9113     0.0000     0.1611     0.0140 
             4.9926     0.0000     0.1824     0.0177 
             5.0739     0.0000     0.2155     0.0223 
             5.1553     0.0000     0.1949     0.0205 
             5.2366     0.0000     0.1062     0.0112 
             5.3180    -0.0000     0.0212     0.0022 
             5.3993    -0.0000    -0.0115    -0.0013 
             5.4807    -0.0000    -0.0044    -0.0003 
             5.5620    -0.0000     0.0185     0.0028 
             5.6433    -0.0000     0.0383     0.0055 
             5.7247    -0.0000     0.0393     0.0056 
             5.8060    -0.0001     0.0225     0.0031 
             5.8874    -0.0005     0.0049     0.0004 
             5.9687    -0.0010    -0.0026    -0.0011 
             6.0501    -0.0000    -0.0019    -0.0003 
             6.1314     0.0054     0.0042     0.0041 
             6.2127     0.0144     0.0132     0.0112 
             6.2941     0.0195     0.0180     0.0152 
             6.3754     0.0145     0.0136     0.0111 
             6.4568     0.0051     0.0050     0.0038 
             6.5381     0.0045     0.0036     0.0038 
             6.6194     0.0181     0.0140     0.0158 
             6.7008     0.0344     0.0268     0.0301 
             6.7821     0.0358     0.0279     0.0321 
             6.8635     0.0227     0.0188     0.0233 
             6.9448     0.0160     0.0162     0.0190 
             7.0262     0.0334     0.0288     0.0250 
             7.1075     0.0710     0.0437     0.0316 
             7.1888     0.1023     0.0461     0.0314 
             7.2702     0.1034     0.0470     0.0315 
             7.3515     0.0849     0.0690     0.0431 
             7.4329     0.0694     0.0990     0.0589 
             7.5142     0.0612     0.1030     0.0618 
             7.5956     0.0719     0.0914     0.0598 
             7.6769     0.1141     0.0983     0.0698 
             7.7582     0.1527     0.1090     0.0767 
             7.8396     0.1364     0.0866     0.0579 
             7.9209     0.0737     0.0400     0.0247 
             8.0023     0.0173     0.0076     0.0028 
             8.0836    -0.0063     0.0051    -0.0016 
             8.1649    -0.0090     0.0177     0.0017 
             8.2463    -0.0053     0.0253     0.0044 
             8.3276     0.0070     0.0278     0.0077 
             8.4090     0.0330     0.0396     0.0161 
             8.4903     0.0585     0.0559     0.0251 
             8.5717     0.0614     0.0537     0.0249 
             8.6530     0.0474     0.0345     0.0189 
             8.7343     0.0407     0.0293     0.0210 
             8.8157     0.0436     0.0690     0.0392 
             8.8970     0.0445     0.1771     0.0800 
             8.9784     0.0442     0.3271     0.1393 
             9.0597     0.0425     0.3996     0.1730 
             9.1411     0.0303     0.3060     0.1373 
             9.2224     0.0119     0.1333     0.0650 
             9.3037     0.0050     0.0388     0.0329 
             9.3851     0.0166     0.0645     0.0634 
             9.4664     0.0351     0.1394     0.1073 
             9.5478     0.0466     0.1965     0.1205 
             9.6291     0.0524     0.2186     0.1123 
             9.7105     0.0573     0.2044     0.1034 
             9.7918     0.0593     0.1682     0.0931 
             9.8731     0.0682     0.1582     0.0866 
             9.9545     0.0974     0.1962     0.0954 
            10.0358     0.1301     0.2345     0.1072 
            10.1172     0.1386     0.2283     0.1053 
            10.1985     0.1190     0.1923     0.0934 
            10.2798     0.0831     0.1784     0.0905 
            10.3612     0.0544     0.2500     0.1219 
            10.4425     0.0565     0.3931     0.1799 
            10.5239     0.0741     0.4572     0.2001 
            10.6052     0.0680     0.3367     0.1422 
            10.6866     0.0352     0.1313     0.0527 
            10.7679     0.0060    -0.0023    -0.0032 
            10.8492    -0.0044    -0.0195    -0.0080 
            10.9306    -0.0047     0.0485     0.0267 
            11.0119    -0.0041     0.1474     0.0770 
            11.0933    -0.0007     0.1988     0.1025 
            11.1746     0.0129     0.1690     0.0836 
            11.2560     0.0366     0.1129     0.0482 
            11.3373     0.0589     0.0848     0.0267 
            11.4186     0.0738     0.0809     0.0182 
            11.5000     0.0817     0.0802     0.0127 
            11.5813     0.0729     0.0675     0.0080 
            11.6627     0.0432     0.0390     0.0039 
            11.7440     0.0122     0.0106     0.0008 
            11.8253    -0.0024    -0.0025    -0.0005 
            11.9067    -0.0037    -0.0035    -0.0005 
            11.9880    -0.0016    -0.0015    -0.0002 
            12.0694    -0.0004    -0.0004    -0.0000 
            12.1507    -0.0001    -0.0001    -0.0000 
            12.2321    -0.0000    -0.0000    -0.0000 
            12.3134    -0.0000    -0.0000    -0.0000 
            12.3947    -0.0000    -0.0000    -0.0000 
            12.4761    -0.0000    -0.0000    -0.0000 
            12.5574    -0.0000    -0.0000    -0.0000 
            12.6388    -0.0001    -0.0004    -0.0002 
            12.7201    -0.0003    -0.0019    -0.0011 
            12.8015    -0.0008    -0.0060    -0.0036 
            12.8828    -0.0014    -0.0098    -0.0058 
            12.9641     0.0004     0.0034     0.0025 
            13.0455     0.0076     0.0549     0.0343 
            13.1268     0.0190     0.1341     0.0822 
            13.2082     0.0291     0.1996     0.1178 
            13.2895     0.0355     0.2341     0.1281 
            13.3709     0.0369     0.2411     0.1195 
            13.4522     0.0293     0.2111     0.0940 
            13.5335     0.0147     0.1630     0.0622 
            13.6149     0.0029     0.1374     0.0441 
            13.6962    -0.0015     0.1187     0.0357 
            13.7776    -0.0016     0.0714     0.0214 
            13.8589    -0.0014     0.0230     0.0076 
            13.9402    -0.0017     0.0294     0.0133 
            14.0216     0.0008     0.0975     0.0394 
            14.1029     0.0101     0.1770     0.0638 
            14.1843     0.0236     0.2106     0.0663 
            14.2656     0.0296     0.1768     0.0478 
            14.3470     0.0214     0.0998     0.0232 
            14.4283     0.0080     0.0292     0.0054 
            14.5096    -0.0000    -0.0042    -0.0017 
            14.5910    -0.0015    -0.0082    -0.0021 
            14.6723    -0.0008    -0.0038    -0.0009 
            14.7537    -0.0002    -0.0010    -0.0002 
            14.8350    -0.0000    -0.0002    -0.0000 
            14.9164    -0.0000    -0.0000    -0.0000 
            14.9977    -0.0000    -0.0000    -0.0000 
            15.0790    -0.0000    -0.0000    -0.0000 
            15.1604    -0.0000    -0.0000    -0.0000 
            15.2417    -0.0000    -0.0000    -0.0000 
            15.3231    -0.0000    -0.0000    -0.0000 
            15.4044    -0.0000    -0.0000    -0.0000 
            15.4857    -0.0000    -0.0000    -0.0000 
            15.5671     0.0000     0.0000     0.0000 
            15.6484     0.0000     0.0000     0.0000 
            15.7298     0.0000     0.0000     0.0000 
            15.8111     0.0000     0.0000     0.0000 
            15.8925     0.0000     0.0000     0.0000 
            15.9738     0.0000     0.0000     0.0000 
            16.0551     0.0000     0.0000     0.0000 
            16.1365     0.0000     0.0000     0.0000 
            16.2178     0.0000     0.0000     0.0000 
       
      
     
    
   
  
  
   
    
     band
     kpoint
     spin
     eigene
     occ
     
      
       
           -6.1848    1.0000 
            5.6446    1.0080 
            5.6446    1.0079 
            5.6446    1.0079 
            8.1938   -0.0000 
            8.1938   -0.0000 
            8.1938   -0.0000 
            8.7620   -0.0000 
       
       
           -5.6770    1.0000 
            2.6519    1.0000 
            5.0706    1.0000 
            5.0706    1.0000 
            7.7904   -0.0000 
            8.9858   -0.0000 
            8.9858   -0.0000 
           11.5157    0.0000 
       
       
           -4.3439    1.0000 
           -0.5587    1.0000 
            4.5271    1.0000 
            4.5271    1.0000 
            7.1895   -0.0000 
            9.0668   -0.0000 
            9.0669   -0.0000 
           13.4404    0.0000 
       
       
           -5.5020    1.0000 
            3.0007    1.0000 
            4.1796    1.0000 
            4.1796    1.0000 
            7.1138   -0.0000 
            9.4981   -0.0000 
           10.4874   -0.0000 
           10.4874   -0.0000 
       
       
           -4.3828    1.0000 
            0.3683    1.0000 
            3.0551    1.0000 
            3.6779    1.0000 
            7.4302   -0.0000 
            9.7183   -0.0000 
           10.5100   -0.0000 
           11.0491   -0.0000 
       
       
           -3.5217    1.0000 
           -0.9919    1.0000 
            2.2613    1.0000 
            3.9527    1.0000 
            7.7019   -0.0000 
           10.1976   -0.0000 
           10.4292   -0.0000 
           13.1534    0.0000 
       
       
           -4.8614    1.0000 
            1.1862    1.0000 
            2.6981    1.0000 
            4.8057    1.0000 
            8.4910   -0.0000 
            9.6039   -0.0000 
            9.9270   -0.0000 
           11.2985    0.0000 
       
       
           -3.5214    1.0000 
           -0.5051    1.0000 
            2.9908    1.0000 
            2.9908    1.0000 
            6.2608   -0.0040 
            6.9957   -0.0000 
           14.0646    0.0000 
           14.0646    0.0000 
       
       
           -2.3458    1.0000 
           -1.7427    1.0000 
            1.6597    1.0000 
            3.1067    1.0000 
            6.7074   -0.0000 
            8.7965   -0.0000 
           13.6409    0.0000 
           14.2178    0.0000 
       
       
           -3.0949    1.0000 
           -0.8831    1.0000 
            1.7405    1.0000 
            2.7086    1.0000 
            9.0295   -0.0000 
            9.4335   -0.0000 
           10.0127   -0.0000 
           13.3587    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 
       
      
      
       
          0.2026  0.0053  0.0003 
          0.2026  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  0.1480  0.0415 
          0.0000  0.1480  0.0415 
       
       
          0.0000  0.1480  0.0415 
          0.0000  0.1480  0.0415 
       
       
          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  0.0713  0.0155 
          0.0034  0.0713  0.0155 
       
      
      
       
          0.2014  0.0074  0.0004 
          0.2014  0.0074  0.0004 
       
       
          0.1353  0.1110  0.0166 
          0.1353  0.1110  0.0166 
       
       
          0.0000  0.1954  0.0148 
          0.0000  0.1954  0.0148 
       
       
          0.0000  0.1954  0.0148 
          0.0000  0.1954  0.0148 
       
       
          0.0338  0.0909  0.0331 
          0.0338  0.0909  0.0331 
       
       
          0.0772  0.0546  0.0441 
          0.0772  0.0546  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  0.1582  0.0107 
          0.0306  0.1582  0.0107 
       
       
          0.0000  0.1969  0.0095 
          0.0000  0.1969  0.0095 
       
       
          0.0441  0.0698  0.0413 
          0.0441  0.0698  0.0413 
       
       
          0.0379  0.0741  0.0509 
          0.0379  0.0741  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  0.0431 
          0.0616  0.0561  0.0431 
       
       
          0.0551  0.1007  0.0504 
          0.0551  0.1007  0.0504 
       
       
          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  0.1591  0.0089 
          0.0126  0.1591  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 
       
       
          0.1777  0.0619  0.0073 
          0.1777  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  0.0315  0.0477 
          0.0455  0.0315  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  0.0531 
          0.0000  0.1648  0.0531 
       
       
          0.0589  0.1423  0.0106 
          0.0157  0.1972  0.0668 
       
      
      
       
          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  0.1705  0.0075 
          0.0015  0.1705  0.0075 
       
       
          0.0267  0.0959  0.0488 
          0.0267  0.0959  0.0488 
       
       
          0.0093  0.0720  0.0605 
          0.0093  0.0720  0.0605 
       
       
          0.0647  0.0973  0.0422 
          0.0647  0.0973  0.0422 
       
       
          0.0196  0.1204  0.0602 
          0.0196  0.1204  0.0602 
       
      
     
    
   
  
 
 
  
   
           0.00000000       2.73471785       2.73471785 
           2.73471785      -0.00000000       2.73471785 
           2.73471785       2.73471785       0.00000000 
   
        40.90416858 
   
          -0.18283422       0.18283422       0.18283422 
           0.18283422      -0.18283422       0.18283422 
           0.18283422       0.18283422      -0.18283422 
   
  
  
          0.37500000       0.37500000       0.37500000 
          0.62500000       0.62500000       0.62500000