vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  10:56:44 
 
 
  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 
    
   
   
           0.19524275       0.95710783       0.33125256 
           0.92880910       0.61476458       0.25375670 
           0.57578182       0.22484263       0.56063720 
           0.59957135       0.86862437       0.08616274 
           0.84277491       0.77314512       0.71579098 
           0.18869792       0.18431341       0.48609057 
           0.96503447       0.84995195       0.40327993 
           0.76259137       0.43128507       0.30173919 
           0.12784762       0.22479671       0.46572598 
           0.33571508       0.71707562       0.98112557 
           0.55419073       0.31803307       0.33368840 
           0.65188861       0.97613731       0.82811682 
           0.35892518       0.29814561       0.83586356 
           0.20809878       0.18132374       0.54067761 
           0.67970289       0.93427220       0.83967887 
           0.79696940       0.20737465       0.31462499 
           0.67163388       0.99755203       0.82843782 
           0.35470796       0.48599960       0.95836333 
           0.31142160       0.52625780       0.77692300 
           0.51173729       0.97259915       0.38681808 
           0.10650023       0.85609128       0.33566448 
           0.84698668       0.06974417       0.03486574 
           0.86068111       0.83279719       0.80387778 
           0.06337391       0.47117087       0.70856376 
           0.14144373       0.52606535       0.69804275 
           0.42820015       0.58892417       0.84059714 
           0.45532650       0.45039755       0.57793245 
           0.73825604       0.73802720       0.15199295 
           0.97130365       0.86357378       0.09162164 
           0.01256849       0.52800309       0.26426107 
           0.26774916       0.97780472       0.51524382 
           0.34703795       0.25613471       0.43225535 
           0.26322773       0.89588254       0.94841137 
           0.55648258       0.08067715       0.21331610 
           0.39673993       0.21792814       0.09560598 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          17 
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          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 
   
  
  
          0.19524275       0.95710783       0.33125256 
          0.92880910       0.61476458       0.25375670 
          0.57578182       0.22484263       0.56063720 
          0.59957135       0.86862437       0.08616274 
          0.84277491       0.77314512       0.71579098 
          0.18869792       0.18431341       0.48609057 
          0.96503447       0.84995195       0.40327993 
          0.76259137       0.43128507       0.30173919 
          0.12784762       0.22479671       0.46572598 
          0.33571508       0.71707562       0.98112557 
          0.55419073       0.31803307       0.33368840 
          0.65188861       0.97613731       0.82811682 
          0.35892518       0.29814561       0.83586356 
          0.20809878       0.18132374       0.54067761 
          0.67970289       0.93427220       0.83967887 
          0.79696940       0.20737465       0.31462499 
          0.67163388       0.99755203       0.82843782 
          0.35470796       0.48599960       0.95836333 
          0.31142160       0.52625780       0.77692300 
          0.51173729       0.97259915       0.38681808 
          0.10650023       0.85609128       0.33566448 
          0.84698668       0.06974417       0.03486574 
          0.86068111       0.83279719       0.80387778 
          0.06337391       0.47117087       0.70856376 
          0.14144373       0.52606535       0.69804275 
          0.42820015       0.58892417       0.84059714 
          0.45532650       0.45039755       0.57793245 
          0.73825604       0.73802720       0.15199295 
          0.97130365       0.86357378       0.09162164 
          0.01256849       0.52800309       0.26426107 
          0.26774916       0.97780472       0.51524382 
          0.34703795       0.25613471       0.43225535 
          0.26322773       0.89588254       0.94841137 
          0.55648258       0.08067715       0.21331610 
          0.39673993       0.21792814       0.09560598 
  
 
 
  
       5.91    5.96
       6.39    6.44
   
         24.76344702 
       -372.03197996 
      -2038.74773612 
       -293.88362962 
       3170.77583059 
      -2609.60722799 
         -0.00225460 
       -217.60877410 
       3755.32434067 
       1418.98201590 
       1418.98427050 
       1418.98276743 
   
  
  
       7.65    7.70
       7.65    7.70
   
        712.33263845 
        712.34467644 
        712.33665111 
   
  
  
       9.68    9.73
       9.68    9.73
   
        501.23218746 
        501.25107289 
        501.23848260 
   
  
  
       7.79    7.85
       7.79    7.85
   
        481.54941069 
        481.57357232 
        481.55746457 
   
  
  
       8.04    8.10
       8.15    8.22
   
        480.75380576 
        480.77605078 
        480.76122077 
   
  
  
       8.15    8.21
       8.70    8.76
   
        571.26849923 
        571.23996454 
        571.25898767 
   
  
  
       8.26    8.31
       8.82    8.88
   
        524.03051734 
        524.04047801 
        524.03383756 
   
  
  
       7.93    7.99
       8.48    8.54
   
        618.01445293 
        618.03242563 
        618.02044383 
   
  
  
       7.65    7.71
       8.21    8.28
   
        605.32082158 
        605.32356353 
        605.32173556 
   
  
  
       7.26    7.33
       7.84    7.91
   
        613.31776335 
        613.31650416 
        613.31734362 
   
  
  
       8.10    8.16
       8.69    8.74
   
        617.05070237 
        617.04651226 
        617.04930567 
   
  
  
       8.62    8.68
       9.22    9.28
   
        609.28574760 
        609.25763954 
        609.27637824 
   
  
  
       7.40    7.49
       7.97    8.07
   
        618.52319123 
        618.50080529 
        618.51572925 
   
  
  
       7.56    7.63
       8.13    8.20
   
        614.96037678 
        614.95400872 
        614.95825410 
   
  
  
       7.08    7.14
       7.65    7.72
   
        614.16688078 
        614.15175279 
        614.16183812 
   
  
  
       7.91    7.96
       8.47    8.52
   
        617.09630547 
        617.08629098 
        617.09296731 
   
  
  
       7.92    7.99
       8.48    8.56
   
        613.62733141 
        613.56314801 
        613.60593694 
   
  
  
       7.68    7.75
       8.25    8.33
   
        611.71036324 
        611.72545267 
        611.71539305 
   
  
  
       6.77    6.83
       7.33    7.39
   
        615.31019009 
        615.30110532 
        615.30716183 
   
  
  
       7.87    7.94
       8.43    8.50
   
        622.14394024 
        622.14141185 
        622.14309744 
   
  
  
       8.11    8.18
       8.70    8.78
   
        625.88840407 
        625.87327206 
        625.88336007