vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  21:08:22 
 
 
  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 
    
   
   
           0.95120832       0.66729344       0.96815330 
           0.00275043       0.04953012       0.09902898 
           0.35481288       0.50483657       0.54642486 
           0.96895144       0.81796186       0.15706350 
           0.31124339       0.00972321       0.46846455 
           0.68470269       0.63807687       0.42517891 
           0.88367965       0.66820705       0.73124720 
           0.29185242       0.69914779       0.29476465 
           0.71698187       0.09542275       0.61185229 
           0.75024076       0.83646289       0.76120766 
           0.92251829       0.09658700       0.46187739 
           0.70126652       0.19769021       0.15416482 
           0.16431554       0.67708776       0.97293597 
           0.89775688       0.65253806       0.83097307 
           0.24988646       0.98933124       0.53246416 
           0.14405452       0.43204459       0.57811595 
           0.93933183       0.55187416       0.42037877 
           0.62826656       0.93360960       0.18377014 
           0.34503928       0.67872861       0.90223545 
           0.76992928       0.39205992       0.23438820 
           0.45556916       0.72944546       0.35435496 
           0.08689346       0.59004221       0.23706269 
           0.44640472       0.76328130       0.71339551 
           0.06269988       0.26099307       0.89171976 
           0.58363897       0.27422399       0.24616161 
           0.88184145       0.40250331       0.01597645 
           0.58800197       0.20832493       0.13069819 
           0.76488961       0.60337736       0.21422850 
           0.44399816       0.08019503       0.19320433 
           0.76315986       0.62880846       0.83731072 
           0.66025731       0.12807381       0.80107045 
           0.27020715       0.68897494       0.69881099 
           0.99465348       0.20638360       0.55615388 
           0.16668370       0.85634222       0.42442334 
           0.73807176       0.70414222       0.71827975 
   
  
  
           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 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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 
   
  
  
          0.95120832       0.66729344       0.96815330 
          0.00275043       0.04953012       0.09902898 
          0.35481288       0.50483657       0.54642486 
          0.96895144       0.81796186       0.15706350 
          0.31124339       0.00972321       0.46846455 
          0.68470269       0.63807687       0.42517891 
          0.88367965       0.66820705       0.73124720 
          0.29185242       0.69914779       0.29476465 
          0.71698187       0.09542275       0.61185229 
          0.75024076       0.83646289       0.76120766 
          0.92251829       0.09658700       0.46187739 
          0.70126652       0.19769021       0.15416482 
          0.16431554       0.67708776       0.97293597 
          0.89775688       0.65253806       0.83097307 
          0.24988646       0.98933124       0.53246416 
          0.14405452       0.43204459       0.57811595 
          0.93933183       0.55187416       0.42037877 
          0.62826656       0.93360960       0.18377014 
          0.34503928       0.67872861       0.90223545 
          0.76992928       0.39205992       0.23438820 
          0.45556916       0.72944546       0.35435496 
          0.08689346       0.59004221       0.23706269 
          0.44640472       0.76328130       0.71339551 
          0.06269988       0.26099307       0.89171976 
          0.58363897       0.27422399       0.24616161 
          0.88184145       0.40250331       0.01597645 
          0.58800197       0.20832493       0.13069819 
          0.76488961       0.60337736       0.21422850 
          0.44399816       0.08019503       0.19320433 
          0.76315986       0.62880846       0.83731072 
          0.66025731       0.12807381       0.80107045 
          0.27020715       0.68897494       0.69881099 
          0.99465348       0.20638360       0.55615388 
          0.16668370       0.85634222       0.42442334 
          0.73807176       0.70414222       0.71827975 
  
 
 
  
      11.85   11.96
      12.33   12.44
   
         24.76344702 
      -1018.66205867 
      -2006.75824978 
       -290.40447418 
       3170.77583059 
      -2609.60722799 
         -0.00160131 
       -204.37445193 
       3755.32434067 
        821.05555444 
        821.05715575 
        821.05608821 
   
  
  
      14.94   15.06
      14.95   15.07
   
        198.41869551 
        198.42020478 
        198.41919860 
   
  
  
      17.80   17.90
      17.80   17.91
   
         81.97467966 
         81.96834652 
         81.97256861 
   
  
  
      15.86   16.00
      15.86   16.00
   
         74.57990052 
         74.56331805 
         74.57437303 
   
  
  
      16.76   16.87
      16.92   17.04
   
         74.22155550 
         74.20273439 
         74.21528180 
   
  
  
      16.50   16.62
      17.15   17.27
   
        104.78915451 
        104.79008409 
        104.78946437 
   
  
  
      16.18   16.31
      16.80   16.94
   
         55.33620560 
         55.32459718 
         55.33233612 
   
  
  
      15.83   15.94
      16.46   16.57
   
        116.40548298 
        116.42665646 
        116.41254081 
   
  
  
      16.10   16.22
      16.73   16.85
   
        128.45759492 
        128.47491064 
        128.46336683 
   
  
  
      14.59   14.71
      15.22   15.34
   
        134.03310906 
        134.04071482 
        134.03564431 
   
  
  
      15.29   15.40
      15.91   16.02
   
        135.33300303 
        135.38629667 
        135.35076757 
   
  
  
      15.68   15.78
      16.30   16.41
   
        134.94974694 
        134.91418288 
        134.93789225 
   
  
  
      14.52   14.63
      15.14   15.26
   
        135.71870591 
        135.71075073 
        135.71605419 
   
  
  
      16.65   16.76
      17.31   17.42
   
        135.17266759 
        135.14375967 
        135.16303162