vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  13:39:17 
 
 
  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 
    
   
   
           0.67066652       0.16895695       0.57202785 
           0.69842700       0.19581765       0.95950685 
           0.82357230       0.33951182       0.55484010 
           0.21003517       0.86765363       0.82001398 
           0.33062313       0.21309806       0.61743449 
           0.47551051       0.27263214       0.79641190 
           0.41879005       0.60535511       0.54995488 
           0.43554882       0.23034014       0.50212612 
           0.83565336       0.65199214       0.48579012 
           0.64448932       0.57597080       0.11349479 
           0.72940299       0.10505867       0.89295948 
           0.09131111       0.50990831       0.43166641 
           0.06962897       0.61757597       0.07591455 
           0.23557485       0.68036839       0.71762318 
           0.85311563       0.07711193       0.72216760 
           0.35023703       0.23639532       0.47302839 
           0.71588825       0.29556532       0.55189020 
           0.13517482       0.06966206       0.24119353 
           0.89437168       0.07396651       0.71301586 
           0.07763310       0.71660965       0.54826765 
           0.37526655       0.48774919       0.88720773 
           0.39766385       0.98191328       0.28410920 
           0.03419047       0.67837780       0.72607356 
           0.57900390       0.32835281       0.29675354 
           0.27745427       0.23428147       0.43397905 
           0.45829128       0.21506376       0.35714369 
           0.31629394       0.58730630       0.53884506 
           0.10866110       0.02621921       0.00865252 
           0.63556208       0.46585640       0.36345809 
           0.98957612       0.89605571       0.26353388 
           0.76526919       0.49653248       0.52356210 
           0.63280181       0.97718026       0.60595770 
           0.86928086       0.75005356       0.49022262 
           0.08877408       0.50188564       0.98135691 
           0.70673549       0.82390363       0.88037079 
   
  
  
           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 
   
  
  
          0.67066652       0.16895695       0.57202785 
          0.69842700       0.19581765       0.95950685 
          0.82357230       0.33951182       0.55484010 
          0.21003517       0.86765363       0.82001398 
          0.33062313       0.21309806       0.61743449 
          0.47551051       0.27263214       0.79641190 
          0.41879005       0.60535511       0.54995488 
          0.43554882       0.23034014       0.50212612 
          0.83565336       0.65199214       0.48579012 
          0.64448932       0.57597080       0.11349479 
          0.72940299       0.10505867       0.89295948 
          0.09131111       0.50990831       0.43166641 
          0.06962897       0.61757597       0.07591455 
          0.23557485       0.68036839       0.71762318 
          0.85311563       0.07711193       0.72216760 
          0.35023703       0.23639532       0.47302839 
          0.71588825       0.29556532       0.55189020 
          0.13517482       0.06966206       0.24119353 
          0.89437168       0.07396651       0.71301586 
          0.07763310       0.71660965       0.54826765 
          0.37526655       0.48774919       0.88720773 
          0.39766385       0.98191328       0.28410920 
          0.03419047       0.67837780       0.72607356 
          0.57900390       0.32835281       0.29675354 
          0.27745427       0.23428147       0.43397905 
          0.45829128       0.21506376       0.35714369 
          0.31629394       0.58730630       0.53884506 
          0.10866110       0.02621921       0.00865252 
          0.63556208       0.46585640       0.36345809 
          0.98957612       0.89605571       0.26353388 
          0.76526919       0.49653248       0.52356210 
          0.63280181       0.97718026       0.60595770 
          0.86928086       0.75005356       0.49022262 
          0.08877408       0.50188564       0.98135691 
          0.70673549       0.82390363       0.88037079 
  
 
 
  
       4.93    4.99
       5.39    5.45
   
         24.76344702 
        221.05409809 
      -2473.24647499 
       -293.69006292 
       3170.77583059 
      -2609.60722799 
          0.00069821 
       -214.49447769 
       3755.32434067 
       1580.88017100 
       1580.87947279 
       1580.87993827 
   
  
  
       7.92    7.97
       7.92    7.97
   
        866.36798749 
        866.35215753 
        866.36271084 
   
  
  
       9.47    9.53
       9.47    9.53
   
        660.75076492 
        660.76249175 
        660.75467386 
   
  
  
       8.35    8.42
       8.35    8.42
   
        634.88516122 
        634.91684994 
        634.89572413 
   
  
  
       8.49    8.54
       8.62    8.68
   
        633.54491051 
        633.57599495 
        633.55527199 
   
  
  
       8.63    8.70
       9.23    9.30
   
        676.60410146 
        676.59517247 
        676.60112513 
   
  
  
       8.91    8.97
       9.48    9.55
   
        680.16248982 
        680.18001684 
        680.16833216 
   
  
  
       8.56    8.61
       9.12    9.18
   
        771.15668033 
        771.17007548 
        771.16114538 
   
  
  
       7.52    7.59
       8.08    8.15
   
        743.79594016 
        743.80396994 
        743.79861675 
   
  
  
       7.51    7.57
       8.08    8.15
   
        741.03399551 
        740.98670894 
        741.01823332 
   
  
  
       7.95    8.00
       8.54    8.59
   
        705.52418372 
        705.55598004 
        705.53478249 
   
  
  
       7.63    7.68
       8.19    8.25
   
        657.26660071 
        657.28024012 
        657.27114718 
   
  
  
       7.67    7.73
       8.25    8.31
   
        637.16590510 
        637.18994143 
        637.17391721 
   
  
  
       8.34    8.40
       8.91    8.98
   
        283.01854430 
        282.99654365 
        283.01121075 
   
  
  
       7.03    7.09
       7.62    7.68
   
        195.05852328 
        195.09327792 
        195.07010816 
   
  
  
       7.43    7.49
       8.03    8.10
   
        216.57282644 
        216.62696435 
        216.59087241 
   
  
  
       7.45    7.51
       8.03    8.09
   
        360.08043994 
        360.07062327 
        360.07716772 
   
  
  
       6.49    6.55
       7.06    7.12
   
        347.30612728 
        347.30923247 
        347.30716234 
   
  
  
       8.03    8.10
       8.60    8.68
   
        355.02141045 
        355.01717496 
        355.01999862 
   
  
  
       7.09    7.15
       7.68    7.74
   
        469.17969820 
        469.19315389 
        469.18418343 
   
  
  
       6.83    6.90
       7.46    7.54
   
        480.19247854 
        480.16353615 
        480.18283108 
   
  
  
       7.08    7.14
       7.69    7.76
   
        481.13141618 
        481.10128910 
        481.12137382 
   
  
  
       6.20    6.25
       6.78    6.84
   
        466.68761229 
        466.68619765 
        466.68714074 
   
  
  
       5.58    5.64
       6.16    6.23
   
        482.15845485 
        482.15472377 
        482.15721115 
   
  
  
       6.58    6.64
       7.16    7.23
   
        497.87984770 
        497.86528065 
        497.87499202 
   
  
  
       6.17    6.22
       6.75    6.81
   
        535.28951553 
        535.28198393 
        535.28700500 
   
  
  
       6.42    6.49
       7.00    7.08
   
        586.18774915 
        586.20647220 
        586.19399016 
   
  
  
       6.57    6.63
       7.15    7.21
   
        559.09464038 
        559.11399899 
        559.10109325 
   
  
  
       5.88    5.93
       6.47    6.52
   
        647.22289606 
        647.19698550 
        647.21425921 
   
  
  
       7.03    7.08
       7.62    7.68
   
        680.90909625 
        680.90118383 
        680.90645878 
   
  
  
       6.66    6.74
       7.25    7.33
   
        760.31832255 
        760.33883798 
        760.32516103 
   
  
  
       6.91    6.97
       7.49    7.56
   
        818.93005201 
        818.92558118 
        818.92856173 
   
  
  
       7.75    7.80
       8.34    8.40
   
        801.22743011 
        801.21214242 
        801.22233422 
   
  
  
       7.26    7.32
       7.85    7.91
   
        799.74849941 
        799.73949004 
        799.74549629 
   
  
  
       5.21    5.28
       5.85    5.92
   
        796.94866901 
        796.95499502 
        796.95077768 
   
  
  
       5.11    5.17
       5.70    5.76
   
        787.78851122 
        787.78096034 
        787.78599426 
   
  
  
       5.52    5.57
       6.11    6.16
   
        770.00605222 
        770.02973170 
        770.01394538 
   
  
  
       4.92    4.97
       5.51    5.57
   
        780.27703443 
        780.27218172 
        780.27541686 
   
  
  
       5.36    5.42
       5.99    6.05
   
        780.91539143 
        780.93290022 
        780.92122769 
   
  
  
       4.87    4.93
       5.50    5.56
   
        791.77372639 
        791.77515608 
        791.77420295 
   
  
  
       5.33    5.38
       5.92    5.98
   
        793.25010763 
        793.27977505 
        793.25999677 
   
  
  
       5.87    5.93
       6.48    6.54
   
        794.57147873 
        794.60349540 
        794.58215095 
   
  
  
       5.70    5.75
       6.31    6.36
   
        791.86032942 
        791.89147668 
        791.87071184 
   
  
  
       5.49    5.55
       6.14    6.20
   
        785.99052803 
        785.99015403 
        785.99040336 
   
  
  
       5.67    5.72
       6.32    6.38
   
        790.45796026 
        790.47578523 
        790.46390191 
   
  
  
       5.63    5.68
       6.24    6.29
   
        775.94779171 
        775.93929806 
        775.94496050 
   
  
  
       4.98    5.03
       5.60    5.65
   
        771.20235154 
        771.22225278 
        771.20898528 
   
  
  
       5.10    5.15
       5.71    5.77
   
        772.94306510 
        772.97169194 
        772.95260738 
   
  
  
       4.90    4.96
       5.52    5.57
   
        774.00439214 
        774.00524904 
        774.00467778 
   
  
  
       5.01    5.06
       5.62    5.68
   
        775.76802634 
        775.75302546 
        775.76302604 
   
  
  
       3.91    3.96
       4.55    4.61
   
        786.14097089 
        786.18453869 
        786.15549349 
   
  
  
       3.41    3.48
       4.08    4.14
   
        782.09290749 
        782.11246178 
        782.09942559 
   
  
  
       3.48    3.53
       4.07    4.12
   
        783.83878793 
        783.82727323 
        783.83494970 
   
  
  
       3.65    3.71
       4.23    4.30
   
        784.09355600 
        784.07563987 
        784.08758395 
   
  
  
       3.61    3.66
       4.19    4.25
   
        784.34788929 
        784.33103699 
        784.34227186 
   
  
  
       3.33    3.38
       3.92    3.97
   
        796.71282142 
        796.73262627 
        796.71942304 
   
  
  
       3.48    3.53
       4.07    4.13
   
        799.92694757 
        799.93762926 
        799.93050814 
   
  
  
       3.64    3.69
       4.24    4.30
   
        801.05610813 
        801.06969288 
        801.06063638 
   
  
  
       3.60    3.65
       4.20    4.25
   
        801.16730112 
        801.18254784 
        801.17238336 
   
  
  
       3.52    3.57
       4.12    4.17
   
        801.98067797 
        801.99055553 
        801.98397049 
   
  
  
       3.44    3.49
       4.03    4.09
   
        795.66905698 
        795.67746424 
        795.67185940 
   
  
  
       3.27    3.32
       3.85    3.90
   
        796.46579109 
        796.44473694 
        796.45877304 
   
  
  
       3.12    3.17
       3.70    3.76
   
        806.43230399 
        806.44404341 
        806.43621713 
   
  
  
       3.59    3.64
       4.17    4.23
   
        809.70456382 
        809.70937661 
        809.70616808 
   
  
  
       3.22    3.28
       3.81    3.87
   
        809.90978139 
        809.92291905 
        809.91416061 
   
  
  
       2.93    2.97
       3.51    3.56
   
        796.87522036 
        796.88038973 
        796.87694348 
   
  
  
       3.58    3.64
       4.16    4.22
   
        799.40673141 
        799.39995244 
        799.40447176 
   
  
  
       3.41    3.46
       4.00    4.05
   
        800.02044184 
        800.02966308 
        800.02351559 
   
  
  
       3.95    4.01
       4.54    4.60
   
        449.79711631 
        449.81321155 
        449.80248139 
   
  
  
       3.54    3.60
       4.13    4.18
   
        803.53342068 
        803.55008535 
        803.53897557 
   
  
  
       3.70    3.75
       4.29    4.35
   
        795.94999443 
        795.97335917 
        795.95778268