vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  12:35:46 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.77209676       0.22032730       0.34103114 
           0.90117072       0.71624519       0.49441268 
           0.29170680       0.34925014       0.47004527 
           0.02959012       0.05672897       0.40161433 
           0.87626527       0.74071797       0.57009206 
           0.81839078       0.97985866       0.16964810 
           0.02073199       0.00676401       0.96253548 
           0.25692160       0.91214837       0.15276850 
           0.86697666       0.84580804       0.62039338 
           0.12279547       0.71207294       0.03005773 
           0.69286162       0.48773907       0.31153065 
           0.27731550       0.89867891       0.97804074 
           0.79244336       0.96211696       0.85060315 
           0.79267996       0.96161155       0.62404509 
           0.89663530       0.93474527       0.56961998 
           0.19902018       0.79895170       0.26334313 
           0.22785912       0.46258316       0.88732475 
           0.32422616       0.62103843       0.45359640 
           0.31808093       0.38137459       0.47615082 
           0.73564084       0.04050813       0.39865229 
           0.41848361       0.94623016       0.29506831 
           0.39659296       0.77457532       0.03505438 
           0.64339596       0.01318985       0.01276589 
           0.68514594       0.93243029       0.06889223 
           0.48262784       0.76668369       0.69969285 
           0.60758091       0.86886947       0.99297270 
           0.93055407       0.52405243       0.20208228 
           0.89228883       0.92364705       0.94295013 
           0.33540752       0.26250013       0.35011628 
           0.42430441       0.17916272       0.20707894 
           0.78412300       0.95222198       0.57013486 
           0.50452238       0.78382164       0.25730715 
           0.92110797       0.20432501       0.90965660 
           0.58204429       0.90588970       0.93345205 
           0.27055708       0.27430192       0.04565817 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000
      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     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        27.99362752
         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
      200
        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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.77209676       0.22032730       0.34103114 
          0.90117072       0.71624519       0.49441268 
          0.29170680       0.34925014       0.47004527 
          0.02959012       0.05672897       0.40161433 
          0.87626527       0.74071797       0.57009206 
          0.81839078       0.97985866       0.16964810 
          0.02073199       0.00676401       0.96253548 
          0.25692160       0.91214837       0.15276850 
          0.86697666       0.84580804       0.62039338 
          0.12279547       0.71207294       0.03005773 
          0.69286162       0.48773907       0.31153065 
          0.27731550       0.89867891       0.97804074 
          0.79244336       0.96211696       0.85060315 
          0.79267996       0.96161155       0.62404509 
          0.89663530       0.93474527       0.56961998 
          0.19902018       0.79895170       0.26334313 
          0.22785912       0.46258316       0.88732475 
          0.32422616       0.62103843       0.45359640 
          0.31808093       0.38137459       0.47615082 
          0.73564084       0.04050813       0.39865229 
          0.41848361       0.94623016       0.29506831 
          0.39659296       0.77457532       0.03505438 
          0.64339596       0.01318985       0.01276589 
          0.68514594       0.93243029       0.06889223 
          0.48262784       0.76668369       0.69969285 
          0.60758091       0.86886947       0.99297270 
          0.93055407       0.52405243       0.20208228 
          0.89228883       0.92364705       0.94295013 
          0.33540752       0.26250013       0.35011628 
          0.42430441       0.17916272       0.20707894 
          0.78412300       0.95222198       0.57013486 
          0.50452238       0.78382164       0.25730715 
          0.92110797       0.20432501       0.90965660 
          0.58204429       0.90588970       0.93345205 
          0.27055708       0.27430192       0.04565817 
  
 
 
  
       6.02    6.09
       6.56    6.63
   
         24.76344702 
       1521.65054712 
      -4158.24941734 
       -286.61071396 
       3170.77583059 
      -2609.60722799 
          0.00306572 
       -235.11684612 
       3755.32434067 
       1182.93302573 
       1182.92996001 
       1182.93200382 
   
  
  
       7.52    7.58
       7.52    7.58
   
        494.25928467 
        494.24365827 
        494.25407587 
   
  
  
       9.56    9.63
       9.56    9.63
   
        331.22856223 
        331.24601359 
        331.23437935 
   
  
  
       8.30    8.35
       8.30    8.36
   
        313.55191427 
        313.53906237 
        313.54763030 
   
  
  
       8.45    8.50
       8.56    8.61
   
        312.10823693 
        312.08686922 
        312.10111436 
   
  
  
       9.21    9.28
       9.77    9.84
   
        332.06261461 
        332.06276973 
        332.06266632 
   
  
  
       7.92    7.97
       8.47    8.53
   
        367.29749930 
        367.34461135 
        367.31320332 
   
  
  
       8.04    8.10
       8.62    8.67
   
        386.87657657 
        386.85956410 
        386.87090574 
   
  
  
       7.44    7.49
       8.02    8.08
   
        407.22397510 
        407.23208339 
        407.22667787 
   
  
  
       7.46    7.51
       8.04    8.10
   
        404.88054787 
        404.96183728 
        404.90764434 
   
  
  
       7.91    7.96
       8.49    8.55
   
        409.35629381 
        409.36561041 
        409.35939935 
   
  
  
       8.09    8.16
       8.66    8.73
   
        380.75995340 
        380.77041426 
        380.76344035 
   
  
  
       7.09    7.15
       7.67    7.74
   
        396.70417851 
        396.69992867 
        396.70276189 
   
  
  
       5.54    5.60
       6.09    6.15
   
        398.48361962 
        398.46084336 
        398.47602753 
   
  
  
       4.99    5.05
       5.54    5.60
   
        405.12496554 
        405.04192984 
        405.09728698 
   
  
  
       5.33    5.40
       5.88    5.95
   
        405.41630075 
        405.41663027 
        405.41641059 
   
  
  
       5.70    5.76
       6.26    6.32
   
        409.53996126 
        409.56723723 
        409.54905325 
   
  
  
       5.22    5.28
       5.78    5.85
   
        412.85709804 
        412.86251941 
        412.85890516 
   
  
  
       5.42    5.47
       5.98    6.04
   
        412.97225556 
        412.98053536 
        412.97501549 
   
  
  
       4.99    5.04
       5.54    5.60
   
        412.68598515 
        412.69465241 
        412.68887424 
   
  
  
       5.17    5.24
       5.74    5.82
   
        411.47968051 
        411.47154902 
        411.47697002 
   
  
  
       5.18    5.24
       5.73    5.79
   
        411.26593089 
        411.25731383 
        411.26305853 
   
  
  
       4.65    4.71
       5.21    5.27
   
        419.73365484 
        419.70934737 
        419.72555235 
   
  
  
       4.63    4.69
       5.19    5.26
   
        425.22260518 
        425.17820762 
        425.20780599 
   
  
  
       4.77    4.84
       5.32    5.39
   
        423.35649440 
        423.36131338 
        423.35810072 
   
  
  
       4.76    4.82
       5.34    5.40
   
        427.37828270 
        427.43981026 
        427.39879189 
   
  
  
       4.66    4.72
       5.23    5.29
   
        420.72902133 
        420.72093342 
        420.72632536 
   
  
  
       4.90    4.95
       5.47    5.53
   
        419.70764385 
        419.72847244 
        419.71458671 
   
  
  
       4.23    4.28
       4.79    4.86
   
        416.95750138 
        416.96650649 
        416.96050308 
   
  
  
       5.24    5.30
       5.81    5.87
   
        417.03404541 
        417.04281726 
        417.03696936 
   
  
  
       5.47    5.54
       6.04    6.12
   
        416.93751210 
        416.94727056 
        416.94076492 
   
  
  
       4.95    5.00
       5.54    5.60
   
        416.90736986 
        416.91339906 
        416.90937959 
   
  
  
       5.73    5.78
       6.32    6.38
   
        416.89602142 
        416.90198379 
        416.89800887 
   
  
  
       4.92    4.99
       5.51    5.57
   
        416.84208545 
        416.84644078 
        416.84353723 
   
  
  
       5.10    5.16
       5.68    5.74
   
        417.06021413 
        417.07316100 
        417.06452975 
   
  
  
       5.06    5.11
       5.67    5.72
   
        415.75937855 
        415.73190580 
        415.75022097 
   
  
  
       5.68    5.74
       6.29    6.35
   
        415.68838632 
        415.66256331 
        415.67977865 
   
  
  
       5.56    5.62
       6.14    6.21
   
        415.74984022 
        415.72411863 
        415.74126635 
   
  
  
       5.30    5.37
       5.90    5.97
   
        415.59198865 
        415.56458724 
        415.58285485 
   
  
  
       5.19    5.25
       5.80    5.85
   
        415.54001845 
        415.50845808 
        415.52949833 
   
  
  
       5.29    5.35
       5.89    5.96
   
        415.74039661 
        415.70474431 
        415.72851251 
   
  
  
       5.00    5.05
       5.60    5.66
   
        416.35846014 
        416.34971979 
        416.35554669 
   
  
  
       5.19    5.25
       5.78    5.84
   
        416.22729811 
        416.19951021 
        416.21803548 
   
  
  
       4.71    4.76
       5.31    5.36
   
        416.88869293 
        416.89010136 
        416.88916241 
   
  
  
       5.07    5.13
       5.66    5.73
   
        416.65787097 
        416.66376104 
        416.65983433