vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  05:17:40 
 
 
  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 
    
   
   
           0.70179594       0.37546152       0.03714380 
           0.80787688       0.84957926       0.49201158 
           0.32318893       0.93647251       0.91147652 
           0.43821999       0.00647808       0.98926540 
           0.82818687       0.75955080       0.04525024 
           0.09076093       0.30352021       0.33868343 
           0.17633902       0.64182002       0.72549007 
           0.44410661       0.12600930       0.36364410 
           0.65969815       0.61640670       0.92971943 
           0.44681557       0.53457535       0.98816982 
           0.18154687       0.02985054       0.36996103 
           0.33839177       0.75573503       0.30198845 
           0.15180879       0.24538964       0.97673930 
           0.90391478       0.97359425       0.54072921 
           0.68414433       0.89934127       0.48572090 
           0.41948259       0.69806637       0.76360634 
           0.85782171       0.85856249       0.95946246 
           0.12516452       0.29516159       0.90098471 
           0.74481705       0.16517972       0.39473571 
           0.85225702       0.75441486       0.03703625 
           0.79398518       0.04166261       0.93771198 
           0.35845804       0.04325313       0.96147678 
           0.56966992       0.66101228       0.15527885 
           0.54453930       0.29978836       0.41325377 
           0.46418218       0.14557414       0.60219756 
           0.43108683       0.28700035       0.67238540 
           0.25693346       0.32781923       0.47845334 
           0.02747401       0.82448457       0.86224212 
           0.71107020       0.54466343       0.60556158 
           0.01316373       0.46310945       0.84920661 
           0.72312067       0.63264162       0.90328655 
           0.45381754       0.45930158       0.00625825 
           0.54464824       0.64390700       0.24816151 
           0.34812152       0.41942005       0.73152505 
           0.98836625       0.79735894       0.49252688 
   
  
  
           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 
   
  
  
          0.70179594       0.37546152       0.03714380 
          0.80787688       0.84957926       0.49201158 
          0.32318893       0.93647251       0.91147652 
          0.43821999       0.00647808       0.98926540 
          0.82818687       0.75955080       0.04525024 
          0.09076093       0.30352021       0.33868343 
          0.17633902       0.64182002       0.72549007 
          0.44410661       0.12600930       0.36364410 
          0.65969815       0.61640670       0.92971943 
          0.44681557       0.53457535       0.98816982 
          0.18154687       0.02985054       0.36996103 
          0.33839177       0.75573503       0.30198845 
          0.15180879       0.24538964       0.97673930 
          0.90391478       0.97359425       0.54072921 
          0.68414433       0.89934127       0.48572090 
          0.41948259       0.69806637       0.76360634 
          0.85782171       0.85856249       0.95946246 
          0.12516452       0.29516159       0.90098471 
          0.74481705       0.16517972       0.39473571 
          0.85225702       0.75441486       0.03703625 
          0.79398518       0.04166261       0.93771198 
          0.35845804       0.04325313       0.96147678 
          0.56966992       0.66101228       0.15527885 
          0.54453930       0.29978836       0.41325377 
          0.46418218       0.14557414       0.60219756 
          0.43108683       0.28700035       0.67238540 
          0.25693346       0.32781923       0.47845334 
          0.02747401       0.82448457       0.86224212 
          0.71107020       0.54466343       0.60556158 
          0.01316373       0.46310945       0.84920661 
          0.72312067       0.63264162       0.90328655 
          0.45381754       0.45930158       0.00625825 
          0.54464824       0.64390700       0.24816151 
          0.34812152       0.41942005       0.73152505 
          0.98836625       0.79735894       0.49252688 
  
 
 
  
       5.24    5.30
       5.70    5.76
   
         24.76344702 
       -480.35550379 
      -1674.51864665 
       -298.19906130 
       3170.77583059 
      -2609.60722799 
          0.00457181 
       -187.82215990 
       3755.32434067 
       1700.36559047 
       1700.36101866 
       1700.36406653 
   
  
  
       7.71    7.76
       7.71    7.76
   
       1042.07542822 
       1042.07852150 
       1042.07645932 
   
  
  
       9.23    9.30
       9.23    9.30
   
        880.68338189 
        880.70407908 
        880.69028095 
   
  
  
       8.28    8.33
       8.28    8.33
   
        852.40785249 
        852.42358883 
        852.41309794 
   
  
  
       7.57    7.63
       7.68    7.74
   
        851.05200018 
        851.07564099 
        851.05988045 
   
  
  
       8.65    8.70
       9.23    9.29
   
        834.96125359 
        834.96700491 
        834.96317070 
   
  
  
       8.70    8.76
       9.29    9.35
   
        931.59915322 
        931.54771695 
        931.58200780 
   
  
  
       8.17    8.22
       8.73    8.79
   
        942.14355789 
        942.12742729 
        942.13818102 
   
  
  
       7.50    7.56
       8.06    8.13
   
        955.35945900 
        955.37669862 
        955.36520554 
   
  
  
       8.36    8.41
       8.93    8.98
   
        916.51986039 
        916.50698626 
        916.51556901 
   
  
  
       7.27    7.35
       7.84    7.93
   
        905.25927351 
        905.22856627 
        905.24903776 
   
  
  
       7.67    7.73
       8.24    8.31
   
        905.49684681 
        905.52523211 
        905.50630857 
   
  
  
       8.01    8.07
       8.59    8.65
   
        903.71211525 
        903.76078227 
        903.72833759 
   
  
  
       7.41    7.48
       7.98    8.06
   
        910.97451833 
        911.00900428 
        910.98601365 
   
  
  
       7.92    7.98
       8.49    8.56
   
        930.64920053 
        930.71175448 
        930.67005184 
   
  
  
       7.09    7.15
       7.66    7.72
   
        937.05542880 
        937.06970304 
        937.06018688 
   
  
  
       8.15    8.22
       8.72    8.79
   
        948.37171234 
        948.32665040 
        948.35669169 
   
  
  
       8.22    8.29
       8.79    8.86
   
        947.86841794 
        947.82440129 
        947.85374572 
   
  
  
       9.04    9.10
       9.62    9.68
   
        949.83103580 
        949.77452781 
        949.81219980 
   
  
  
       7.25    7.30
       7.83    7.88
   
        952.66684037 
        952.63306627 
        952.65558234 
   
  
  
       7.67    7.73
       8.26    8.32
   
        958.34015481 
        958.35152827 
        958.34394596 
   
  
  
       7.22    7.28
       7.80    7.86
   
        959.68179713 
        959.63258872 
        959.66539433 
   
  
  
       8.23    8.29
       8.82    8.88
   
        959.64868359 
        959.60303224 
        959.63346647 
   
  
  
       8.11    8.16
       8.68    8.74
   
        959.91185544 
        959.86942489 
        959.89771192 
   
  
  
       7.22    7.29
       7.79    7.86
   
        961.27556967 
        961.23789546 
        961.26301160 
   
  
  
       7.74    7.80
       8.32    8.38
   
        962.02637420 
        961.98651544 
        962.01308795 
   
  
  
       7.36    7.42
       7.93    7.99
   
        961.70242636 
        961.65434608 
        961.68639960 
   
  
  
       7.74    7.79
       8.33    8.38
   
        961.67467014 
        961.63058469 
        961.65997499 
   
  
  
       7.09    7.16
       7.68    7.75
   
        962.55678913 
        962.52478308 
        962.54612045 
   
  
  
       7.56    7.62
       8.14    8.20
   
        964.38015493 
        964.33679790 
        964.36570258 
   
  
  
       6.83    6.89
       7.42    7.48
   
        964.45729947 
        964.41646934 
        964.44368943 
   
  
  
       7.95    8.03
       8.54    8.62
   
        964.37981188 
        964.34193316 
        964.36718564 
   
  
  
       7.43    7.49
       8.01    8.08
   
        964.36522619 
        964.32715260 
        964.35253499 
   
  
  
       7.58    7.65
       8.17    8.24
   
        964.44209745 
        964.40938620 
        964.43119370 
   
  
  
       7.10    7.16
       7.70    7.75
   
        964.36590926 
        964.34050650 
        964.35744167 
   
  
  
       7.22    7.27
       7.84    7.89
   
        964.34561810 
        964.32480861 
        964.33868161 
   
  
  
       7.64    7.70
       8.26    8.32
   
        964.34178469 
        964.32109597 
        964.33488845 
   
  
  
       7.63    7.69
       8.22    8.28
   
        964.33032488 
        964.31394628 
        964.32486534 
   
  
  
       6.82    6.89
       7.42    7.49
   
        964.37126537 
        964.35544970 
        964.36599348 
   
  
  
       6.90    6.95
       7.50    7.56
   
        964.26168389 
        964.22870399 
        964.25069059 
   
  
  
       6.61    6.66
       7.23    7.29
   
        964.23147077 
        964.20546230 
        964.22280128 
   
  
  
       6.89    6.95
       7.51    7.57
   
        964.05265385 
        964.02148797 
        964.04226522 
   
  
  
       6.57    6.63
       7.17    7.23
   
        964.38852451 
        964.35736918 
        964.37813940 
   
  
  
       7.31    7.37
       7.93    7.99
   
        964.38044303 
        964.34714488 
        964.36934365 
   
  
  
       7.59    7.66
       8.21    8.28
   
        964.45370519 
        964.42636564 
        964.44459200 
   
  
  
       7.53    7.61
       8.14    8.22
   
        964.47180655 
        964.44515834 
        964.46292381 
   
  
  
       8.39    8.44
       8.99    9.05
   
        964.48584267 
        964.45937095 
        964.47701876 
   
  
  
       7.51    7.57
       8.14    8.20
   
        964.42563943 
        964.40782221 
        964.41970036 
   
  
  
       6.45    6.51
       7.09    7.15
   
        964.40969846 
        964.39045596 
        964.40328430 
   
  
  
       6.61    6.67
       7.26    7.32
   
        964.45628178 
        964.44144630 
        964.45133662 
   
  
  
       7.13    7.19
       7.78    7.84
   
        963.57153767 
        963.58758069 
        963.57688534 
   
  
  
       6.81    6.88
       7.54    7.62
   
        963.10797434 
        963.12653585 
        963.11416151 
   
  
  
       7.09    7.15
       7.78    7.85
   
        962.56422321 
        962.57376161 
        962.56740268 
   
  
  
       3.42    3.49
       4.13    4.20
   
        962.57598431 
        962.58594936 
        962.57930600 
   
  
  
       2.22    2.28
       2.95    3.02
   
        962.44134220 
        962.45202254 
        962.44490231 
   
  
  
       2.15    2.21
       2.81    2.87
   
        964.54298904 
        964.53776985 
        964.54124931 
   
  
  
       2.04    2.09
       2.58    2.63
   
        964.81332387 
        964.81188487 
        964.81284421 
   
  
  
       1.92    1.96
       2.46    2.51
   
        964.14201882 
        964.12511957 
        964.13638574 
   
  
  
       2.11    2.16
       2.65    2.70
   
        963.83498608 
        963.78883630 
        963.81960282 
   
  
  
       1.97    2.02
       2.51    2.56
   
        963.70308014 
        963.66845333 
        963.69153787 
   
  
  
       1.71    1.75
       2.24    2.29
   
        987.13925441 
        987.07480060 
        987.11776980 
   
  
  
       2.15    2.20
       2.69    2.74
   
        982.08674689 
        982.03723011 
        982.07024130 
   
  
  
       1.94    1.99
       2.48    2.53
   
        975.88124384 
        975.84361689 
        975.86870152 
   
  
  
       2.35    2.39
       2.89    2.94
   
        975.80334212 
        975.77169595 
        975.79279340 
   
  
  
       1.97    2.02
       2.52    2.56
   
        982.00221055 
        981.96172714 
        981.98871608 
   
  
  
       1.77    1.82
       2.31    2.36
   
       1016.16585174 
       1016.17433402 
       1016.16867917 
   
  
  
       1.99    2.03
       2.53    2.57
   
       1001.18942441 
       1001.21996267 
       1001.19960383 
   
  
  
       2.02    2.07
       2.57    2.62
   
       1015.62348632 
       1015.64461019 
       1015.63052761 
   
  
  
       1.99    2.03
       2.53    2.58
   
       1000.18096661 
       1000.20713332 
       1000.18968884 
   
  
  
       1.85    1.90
       2.40    2.45
   
       1002.15922369 
       1002.20057607 
       1002.17300781 
   
  
  
       2.01    2.05
       2.54    2.59
   
        994.52816579 
        994.56474067 
        994.54035742 
   
  
  
       2.07    2.11
       2.61    2.66
   
        996.53026898 
        996.57394350 
        996.54482715 
   
  
  
       2.15    2.20
       2.69    2.74
   
        995.90536048 
        995.95080112 
        995.92050736 
   
  
  
       2.27    2.32
       2.81    2.86
   
        991.95956787 
        991.98375224 
        991.96762933 
   
  
  
       1.79    1.83
       2.33    2.38
   
       1002.90208531 
       1002.90905757 
       1002.90440940