vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  10:01:31 
 
 
  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 
    
   
   
           0.07656526       0.66377239       0.85671491 
           0.30260602       0.46856081       0.87946640 
           0.17728761       0.11833123       0.16804980 
           0.39067430       0.96880523       0.53383900 
           0.26474797       0.05774619       0.29586034 
           0.06680135       0.66466621       0.84008902 
           0.84047129       0.17781511       0.68469904 
           0.89060901       0.49934470       0.51116798 
           0.86851298       0.40565350       0.00401124 
           0.70840929       0.91522267       0.29462295 
           0.06648730       0.86727780       0.25397191 
           0.29613454       0.16907841       0.05392677 
           0.13903791       0.19183730       0.95373907 
           0.39825517       0.32447050       0.91316879 
           0.53876803       0.38852415       0.81372127 
           0.21268534       0.45554901       0.99511318 
           0.16690956       0.95590501       0.72947183 
           0.75640071       0.89857562       0.20691432 
           0.21212329       0.54935181       0.25039354 
           0.95643597       0.17639358       0.47832073 
           0.94011223       0.25515947       0.76965092 
           0.18003415       0.21108514       0.83454325 
           0.22941636       0.93305514       0.10990540 
           0.14861102       0.01362833       0.24751423 
           0.75923132       0.60870986       0.71343995 
           0.97674405       0.06324117       0.71487495 
           0.65053648       0.95866053       0.42367070 
           0.25092333       0.24488709       0.55364545 
           0.70780668       0.75490118       0.49049686 
           0.38197306       0.68310572       0.17016186 
           0.32239958       0.72027671       0.68800494 
           0.25313398       0.56246367       0.62373193 
           0.22098029       0.17879351       0.18373554 
           0.57403980       0.05256789       0.63841834 
           0.54312965       0.79228271       0.58251201 
   
  
  
           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 
   
  
  
          0.07656526       0.66377239       0.85671491 
          0.30260602       0.46856081       0.87946640 
          0.17728761       0.11833123       0.16804980 
          0.39067430       0.96880523       0.53383900 
          0.26474797       0.05774619       0.29586034 
          0.06680135       0.66466621       0.84008902 
          0.84047129       0.17781511       0.68469904 
          0.89060901       0.49934470       0.51116798 
          0.86851298       0.40565350       0.00401124 
          0.70840929       0.91522267       0.29462295 
          0.06648730       0.86727780       0.25397191 
          0.29613454       0.16907841       0.05392677 
          0.13903791       0.19183730       0.95373907 
          0.39825517       0.32447050       0.91316879 
          0.53876803       0.38852415       0.81372127 
          0.21268534       0.45554901       0.99511318 
          0.16690956       0.95590501       0.72947183 
          0.75640071       0.89857562       0.20691432 
          0.21212329       0.54935181       0.25039354 
          0.95643597       0.17639358       0.47832073 
          0.94011223       0.25515947       0.76965092 
          0.18003415       0.21108514       0.83454325 
          0.22941636       0.93305514       0.10990540 
          0.14861102       0.01362833       0.24751423 
          0.75923132       0.60870986       0.71343995 
          0.97674405       0.06324117       0.71487495 
          0.65053648       0.95866053       0.42367070 
          0.25092333       0.24488709       0.55364545 
          0.70780668       0.75490118       0.49049686 
          0.38197306       0.68310572       0.17016186 
          0.32239958       0.72027671       0.68800494 
          0.25313398       0.56246367       0.62373193 
          0.22098029       0.17879351       0.18373554 
          0.57403980       0.05256789       0.63841834 
          0.54312965       0.79228271       0.58251201 
  
 
 
  
       5.21    5.29
       5.67    5.75
   
         24.76344702 
         25.55325315 
      -2193.32267962 
       -292.66845177 
       3170.77583059 
      -2609.60722799 
         -0.00031412 
       -189.99011188 
       3755.32434067 
       1690.82808607 
       1690.82840018 
       1690.82819077 
   
  
  
       7.75    7.80
       7.75    7.80
   
       1031.70072086 
       1031.71529668 
       1031.70557947 
   
  
  
       8.60    8.67
       8.60    8.67
   
        869.32416273 
        869.32770396 
        869.32534314 
   
  
  
       7.79    7.84
       7.79    7.84
   
        842.02905385 
        842.03329970 
        842.03046913 
   
  
  
       7.47    7.52
       7.59    7.64
   
        841.07999894 
        841.08751126 
        841.08250305 
   
  
  
       7.85    7.92
       8.42    8.49
   
        860.46522923 
        860.43024500 
        860.45356782 
   
  
  
       7.56    7.62
       8.13    8.20
   
        943.99415662 
        943.99093599 
        943.99308308 
   
  
  
       8.07    8.12
       8.64    8.70
   
        942.03389201 
        941.99173417 
        942.01983940 
   
  
  
       9.19    9.25
       9.75    9.81
   
        943.46350723 
        943.45029161 
        943.45910202 
   
  
  
       8.82    8.88
       9.41    9.47
   
        939.16495527 
        939.13449803 
        939.15480286 
   
  
  
       8.08    8.13
       8.65    8.71
   
        937.30459701 
        937.26421193 
        937.29113532 
   
  
  
       7.03    7.09
       7.60    7.67
   
        937.40904624 
        937.37022961 
        937.39610736 
   
  
  
       7.91    7.96
       8.47    8.53
   
        937.23824743 
        937.20468324 
        937.22705937 
   
  
  
       7.48    7.53
       8.03    8.09
   
        942.39239124 
        942.34370427 
        942.37616225 
   
  
  
       8.34    8.41
       8.91    8.98
   
        951.07234613 
        951.08846183 
        951.07771803 
   
  
  
       7.78    7.84
       8.36    8.42
   
        952.49797326 
        952.45918877 
        952.48504510 
   
  
  
       7.52    7.60
       8.10    8.18
   
        952.57780943 
        952.54511306 
        952.56691064 
   
  
  
       8.81    8.88
       9.39    9.46
   
        952.45939938 
        952.42743660 
        952.44874512 
   
  
  
       8.17    8.23
       8.74    8.80
   
        952.44648369 
        952.41416221 
        952.43570986 
   
  
  
       8.16    8.22
       8.73    8.80
   
        952.42230512 
        952.37653702 
        952.40704909 
   
  
  
       6.91    6.97
       7.48    7.54
   
        952.32598205 
        952.27202648 
        952.30799686 
   
  
  
       7.71    7.76
       8.29    8.36
   
        952.29842246 
        952.24005203 
        952.27896565 
   
  
  
       7.12    7.17
       7.69    7.75
   
        952.86371733 
        952.80913844 
        952.84552437 
   
  
  
       6.69    6.75
       7.27    7.33
   
        952.79133980 
        952.73785228 
        952.77351062 
   
  
  
       7.63    7.72
       8.20    8.30
   
        952.68570124 
        952.62989664 
        952.66709971 
   
  
  
       6.77    6.83
       7.37    7.43
   
        952.50592563 
        952.45424842 
        952.48869989 
   
  
  
       5.98    6.04
       6.55    6.62
   
        953.02885814 
        952.99457732 
        953.01743120 
   
  
  
       6.29    6.35
       6.86    6.93
   
        953.04394764 
        953.01233353 
        953.03340960 
   
  
  
       7.18    7.28
       7.75    7.86
   
        952.97253758 
        952.93818443 
        952.96108653 
   
  
  
       6.84    6.90
       7.42    7.49
   
        952.97356799 
        952.93891451 
        952.96201683 
   
  
  
       6.32    6.37
       6.90    6.96
   
        954.43915032 
        954.43251615 
        954.43693893 
   
  
  
       6.83    6.89
       7.42    7.48
   
        954.61830164 
        954.62121828 
        954.61927386 
   
  
  
       7.38    7.44
       7.98    8.04
   
        954.48734789 
        954.47793338 
        954.48420972 
   
  
  
       7.40    7.47
       7.99    8.06
   
        954.26213385 
        954.24708815 
        954.25711862