vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  12:57:23 
 
 
  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 
    
   
   
           0.66856929       0.59449405       0.53427566 
           0.56198638       0.42631493       0.21719893 
           0.79634365       0.64452975       0.15422392 
           0.04292653       0.21964940       0.22684405 
           0.75050251       0.94455697       0.98824138 
           0.71352216       0.57894628       0.17454316 
           0.46724421       0.34282093       0.19128157 
           0.45358782       0.67436309       0.74469707 
           0.83055950       0.38043823       0.80292447 
           0.87157463       0.39925341       0.94373736 
           0.82491800       0.32892601       0.16538653 
           0.88543796       0.24515564       0.67654923 
           0.94061726       0.40311145       0.39288906 
           0.66625222       0.50424269       0.91499823 
           0.02150765       0.25226476       0.95418381 
           0.95366057       0.51967419       0.49579568 
           0.25256593       0.21348665       0.70297754 
           0.22203050       0.84927783       0.23429870 
           0.93225138       0.71938183       0.93982010 
           0.21901224       0.34235859       0.28266395 
           0.20474040       0.49044981       0.77573150 
           0.27289206       0.61774974       0.01836759 
           0.15186179       0.30539572       0.08759817 
           0.79058973       0.72076407       0.75131828 
           0.83581643       0.40213042       0.79059229 
           0.40780739       0.27137211       0.10788347 
           0.89904344       0.37118680       0.24063173 
           0.46564275       0.25659139       0.75031449 
           0.36950227       0.68286419       0.65742658 
           0.36967810       0.22645875       0.79458823 
           0.57364567       0.22417600       0.82534538 
           0.89251809       0.50311171       0.73562241 
           0.48587254       0.62124268       0.56597908 
           0.83577255       0.35913311       0.94406022 
           0.46119632       0.76439025       0.74497294 
   
  
  
           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 
   
  
  
          0.66856929       0.59449405       0.53427566 
          0.56198638       0.42631493       0.21719893 
          0.79634365       0.64452975       0.15422392 
          0.04292653       0.21964940       0.22684405 
          0.75050251       0.94455697       0.98824138 
          0.71352216       0.57894628       0.17454316 
          0.46724421       0.34282093       0.19128157 
          0.45358782       0.67436309       0.74469707 
          0.83055950       0.38043823       0.80292447 
          0.87157463       0.39925341       0.94373736 
          0.82491800       0.32892601       0.16538653 
          0.88543796       0.24515564       0.67654923 
          0.94061726       0.40311145       0.39288906 
          0.66625222       0.50424269       0.91499823 
          0.02150765       0.25226476       0.95418381 
          0.95366057       0.51967419       0.49579568 
          0.25256593       0.21348665       0.70297754 
          0.22203050       0.84927783       0.23429870 
          0.93225138       0.71938183       0.93982010 
          0.21901224       0.34235859       0.28266395 
          0.20474040       0.49044981       0.77573150 
          0.27289206       0.61774974       0.01836759 
          0.15186179       0.30539572       0.08759817 
          0.79058973       0.72076407       0.75131828 
          0.83581643       0.40213042       0.79059229 
          0.40780739       0.27137211       0.10788347 
          0.89904344       0.37118680       0.24063173 
          0.46564275       0.25659139       0.75031449 
          0.36950227       0.68286419       0.65742658 
          0.36967810       0.22645875       0.79458823 
          0.57364567       0.22417600       0.82534538 
          0.89251809       0.50311171       0.73562241 
          0.48587254       0.62124268       0.56597908 
          0.83577255       0.35913311       0.94406022 
          0.46119632       0.76439025       0.74497294 
  
 
 
  
       5.80    5.86
       6.27    6.32
   
         24.76344702 
       3038.71567302 
      -5668.56402194 
       -280.75340002 
       3170.77583059 
      -2609.60722799 
          0.00765643 
       -222.47804687 
       3755.32434067 
       1208.18425093 
       1208.17659450 
       1208.18169878 
   
  
  
       7.59    7.65
       7.59    7.65
   
        456.20740525 
        456.22160950 
        456.21214000 
   
  
  
       9.39    9.44
       9.39    9.44
   
        289.53656421 
        289.53652279 
        289.53655041 
   
  
  
       7.74    7.80
       7.74    7.80
   
        276.58558593 
        276.57885111 
        276.58334099 
   
  
  
       7.77    7.82
       7.87    7.93
   
        275.99316430 
        275.98558335 
        275.99063731 
   
  
  
       9.28    9.34
       9.84    9.91
   
        306.76226042 
        306.74968704 
        306.75806929 
   
  
  
       8.67    8.73
       9.25    9.33
   
        288.96428473 
        288.97644362 
        288.96833769 
   
  
  
       7.90    7.95
       8.47    8.53
   
        367.12201238 
        367.06806598 
        367.10403025 
   
  
  
       7.42    7.48
       7.99    8.05
   
        362.28513653 
        362.30676454 
        362.29234587 
   
  
  
       7.52    7.58
       8.09    8.14
   
        361.47063411 
        361.41757337 
        361.45294720 
   
  
  
       7.28    7.36
       7.87    7.95
   
        363.90920617 
        363.89034311 
        363.90291848 
   
  
  
       7.41    7.47
       7.98    8.05
   
        364.31481286 
        364.28840868 
        364.30601147 
   
  
  
       7.27    7.34
       7.84    7.91
   
        337.47829578 
        337.50957462 
        337.48872206 
   
  
  
       7.01    7.07
       7.58    7.64
   
        350.08903034 
        350.09320681 
        350.09042250 
   
  
  
       7.44    7.50
       8.02    8.08
   
        354.47154404 
        354.44932376 
        354.46413728 
   
  
  
       8.29    8.35
       8.86    8.92
   
        351.90716272 
        352.03373168 
        351.94935238 
   
  
  
       6.60    6.65
       7.17    7.23
   
        358.96510962 
        358.97051762 
        358.96691229 
   
  
  
       7.09    7.17
       7.69    7.77
   
        361.88715104 
        361.89813900 
        361.89081369 
   
  
  
       7.12    7.18
       7.69    7.76
   
        369.98241631 
        369.97742772 
        369.98075345 
   
  
  
       6.52    6.58
       7.09    7.15
   
        373.41799958 
        373.39282578 
        373.40960832 
   
  
  
       7.58    7.63
       8.15    8.21
   
        373.88958322 
        373.87936663 
        373.88617769 
   
  
  
       6.46    6.52
       7.04    7.09
   
        373.88354176 
        373.83576145 
        373.86761499 
   
  
  
       6.35    6.41
       6.92    6.98
   
        373.81606632 
        373.76958781 
        373.80057348