vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:07:25 
 
 
  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 
    
   
   
           0.00927162       0.09072301       0.50462923 
           0.93540755       0.15257069       0.57693004 
           0.98185870       0.96397487       0.76467903 
           0.12409208       0.71116212       0.54071727 
           0.96173901       0.50273241       0.68491726 
           0.19507213       0.88318328       0.68913178 
           0.01116253       0.25598290       0.53586055 
           0.95875217       0.02618718       0.75114651 
           0.19139709       0.95818983       0.61131568 
           0.54626711       0.69667145       0.58095714 
           0.60268194       0.70953630       0.15779134 
           0.65389031       0.08670315       0.60747358 
           0.54544468       0.87377431       0.78671499 
           0.04267357       0.89208265       0.06819950 
           0.03572935       0.56999319       0.84794552 
           0.03191752       0.42243848       0.39612190 
           0.78311955       0.79423910       0.11267639 
           0.78797818       0.25184200       0.60775061 
           0.45989958       0.71502165       0.45986705 
           0.64560614       0.89331770       0.50642463 
           0.11513739       0.71625399       0.55977800 
           0.82599099       0.23282405       0.16143926 
           0.31890527       0.34132742       0.79090357 
           0.12499857       0.35029191       0.86284828 
           0.01759154       0.23433489       0.83439811 
           0.75207143       0.32955859       0.90026692 
           0.75371492       0.20906654       0.35548926 
           0.07595391       0.72945672       0.60668559 
           0.13969151       0.61869537       0.99121390 
           0.77251428       0.64163880       0.63402101 
           0.70814562       0.15896594       0.91927370 
           0.98764068       0.36074387       0.82389578 
           0.04048796       0.55659784       0.92748834 
           0.56632148       0.65713179       0.28822783 
           0.01837405       0.33287923       0.07103702 
   
  
  
           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 
   
  
  
          0.00927162       0.09072301       0.50462923 
          0.93540755       0.15257069       0.57693004 
          0.98185870       0.96397487       0.76467903 
          0.12409208       0.71116212       0.54071727 
          0.96173901       0.50273241       0.68491726 
          0.19507213       0.88318328       0.68913178 
          0.01116253       0.25598290       0.53586055 
          0.95875217       0.02618718       0.75114651 
          0.19139709       0.95818983       0.61131568 
          0.54626711       0.69667145       0.58095714 
          0.60268194       0.70953630       0.15779134 
          0.65389031       0.08670315       0.60747358 
          0.54544468       0.87377431       0.78671499 
          0.04267357       0.89208265       0.06819950 
          0.03572935       0.56999319       0.84794552 
          0.03191752       0.42243848       0.39612190 
          0.78311955       0.79423910       0.11267639 
          0.78797818       0.25184200       0.60775061 
          0.45989958       0.71502165       0.45986705 
          0.64560614       0.89331770       0.50642463 
          0.11513739       0.71625399       0.55977800 
          0.82599099       0.23282405       0.16143926 
          0.31890527       0.34132742       0.79090357 
          0.12499857       0.35029191       0.86284828 
          0.01759154       0.23433489       0.83439811 
          0.75207143       0.32955859       0.90026692 
          0.75371492       0.20906654       0.35548926 
          0.07595391       0.72945672       0.60668559 
          0.13969151       0.61869537       0.99121390 
          0.77251428       0.64163880       0.63402101 
          0.70814562       0.15896594       0.91927370 
          0.98764068       0.36074387       0.82389578 
          0.04048796       0.55659784       0.92748834 
          0.56632148       0.65713179       0.28822783 
          0.01837405       0.33287923       0.07103702 
  
 
 
  
       6.04    6.12
       6.57    6.65
   
         24.76344702 
        351.52264305 
      -2356.95753532 
       -291.22974034 
       3170.77583059 
      -2609.60722799 
         -0.00350056 
       -206.02674026 
       3755.32434067 
       1838.56151686 
       1838.56501743 
       1838.56268372 
   
  
  
       8.07    8.14
       8.07    8.14
   
       1062.94209880 
       1062.93125300 
       1062.93848353 
   
  
  
       8.16    8.22
       8.16    8.22
   
        818.74768889 
        818.74230694 
        818.74589491 
   
  
  
       6.63    6.68
       6.63    6.68
   
        768.84959904 
        768.83294713 
        768.84404840 
   
  
  
       6.34    6.40
       6.45    6.51
   
        758.99528931 
        758.99444033 
        758.99500632 
   
  
  
       7.10    7.16
       7.66    7.71
   
        930.49229591 
        930.51914807 
        930.50124663 
   
  
  
       6.47    6.52
       7.03    7.08
   
        922.38983870 
        922.36718682 
        922.38228807 
   
  
  
       7.09    7.15
       7.65    7.71
   
        921.94037535 
        921.96611870 
        921.94895647 
   
  
  
       6.56    6.61
       7.10    7.16
   
        938.78948126 
        938.78351757 
        938.78749336 
   
  
  
       6.91    6.97
       7.48    7.54
   
        937.61099741 
        937.61302346 
        937.61167276 
   
  
  
       7.52    7.58
       8.10    8.16
   
        941.13983943 
        941.16435206 
        941.14801031 
   
  
  
       6.76    6.84
       7.38    7.46
   
        940.85277540 
        940.87713014 
        940.86089365 
   
  
  
       7.10    7.17
       7.66    7.73
   
        940.67147469 
        940.67623836 
        940.67306258 
   
  
  
       7.29    7.36
       7.85    7.92
   
        930.00244043 
        930.02783985 
        930.01090690 
   
  
  
       7.15    7.21
       7.70    7.76
   
        938.56189771 
        938.55074270 
        938.55817938 
   
  
  
       6.74    6.80
       7.31    7.37
   
        937.15906595 
        937.13968111 
        937.15260434 
   
  
  
       6.60    6.66
       7.16    7.22
   
        937.32530592 
        937.30736725 
        937.31932637 
   
  
  
       7.20    7.27
       7.76    7.83
   
        937.43757158 
        937.41948008 
        937.43154108 
   
  
  
       6.95    7.01
       7.52    7.58
   
        936.93360305 
        936.92106053 
        936.92942221 
   
  
  
       7.01    7.07
       7.58    7.64
   
        935.82815249 
        935.80448820 
        935.82026439 
   
  
  
       6.68    6.73
       7.25    7.31
   
        933.17270882 
        933.14948064 
        933.16496609 
   
  
  
       6.73    6.81
       7.38    7.47
   
        932.64518643 
        932.62488391 
        932.63841892 
   
  
  
       7.06    7.11
       7.74    7.80
   
        933.61686047 
        933.59697579 
        933.61023224 
   
  
  
       6.97    7.03
       7.55    7.61
   
        934.52322456 
        934.51589043 
        934.52077985 
   
  
  
       7.37    7.42
       7.99    8.05
   
        934.46008222 
        934.45344321 
        934.45786922 
   
  
  
       7.24    7.32
       7.83    7.91
   
        934.24444965 
        934.23544869 
        934.24144933 
   
  
  
       6.68    6.74
       7.26    7.32
   
        934.64967408 
        934.64215128 
        934.64716648 
   
  
  
       6.52    6.57
       7.12    7.17
   
        934.99387667 
        934.99142758 
        934.99306031 
   
  
  
       6.71    6.78
       7.30    7.36
   
        936.30275824 
        936.30058259 
        936.30203302 
   
  
  
       7.04    7.11
       7.62    7.69
   
        936.50552076 
        936.50345867 
        936.50483339 
   
  
  
       6.29    6.35
       6.88    6.94
   
        940.86163304 
        940.84203592 
        940.85510066 
   
  
  
       6.42    6.48
       7.01    7.07
   
        942.07436048 
        942.06758474 
        942.07210190 
   
  
  
       7.06    7.13
       7.64    7.71
   
     -19116.84621074 
     -19116.79233477 
     -19116.82825208