vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  11:39:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  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 
    
   
   
           0.01354714       0.66561620       0.43878248 
           0.22485699       0.10337967       0.36539086 
           0.54019705       0.36825617       0.12865992 
           0.61401773       0.38552295       0.48369631 
           0.30862286       0.94381712       0.75084840 
           0.15982317       0.77319840       0.11012079 
           0.84709199       0.06685496       0.67416004 
           0.14474028       0.29324547       0.03643957 
           0.12817846       0.17283034       0.38894057 
           0.88707402       0.17107678       0.04967126 
           0.60053401       0.20192028       0.62390004 
           0.35170265       0.10450791       0.85955321 
           0.84442259       0.62448665       0.13506522 
           0.48429122       0.43669659       0.35478071 
           0.28810989       0.60268766       0.49541576 
           0.94343773       0.29917555       0.46289887 
           0.71959407       0.11709192       0.25483350 
           0.36164845       0.91670947       0.45136267 
           0.33757689       0.32559050       0.65932139 
           0.54747518       0.85473237       0.61438133 
           0.89204349       0.89569096       0.52765183 
           0.94910070       0.29931215       0.50077713 
           0.25782676       0.61524650       0.27239004 
           0.54233527       0.28098945       0.67390365 
           0.16887443       0.33401041       0.54920545 
           0.94037601       0.84920645       0.07651271 
           0.06210793       0.56645724       0.38553983 
           0.43190838       0.04713911       0.66442049 
           0.67019844       0.46043611       0.86265152 
           0.79554467       0.97796091       0.41340330 
           0.49416775       0.78379905       0.46792385 
           0.37516016       0.59117887       0.84501286 
           0.52582737       0.62982045       0.59078270 
           0.09814428       0.66890789       0.07597896 
           0.97069360       0.57593889       0.77529511 
   
  
  
           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
       87
       -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
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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      0.32000000      0.73000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.01354714       0.66561620       0.43878248 
          0.22485699       0.10337967       0.36539086 
          0.54019705       0.36825617       0.12865992 
          0.61401773       0.38552295       0.48369631 
          0.30862286       0.94381712       0.75084840 
          0.15982317       0.77319840       0.11012079 
          0.84709199       0.06685496       0.67416004 
          0.14474028       0.29324547       0.03643957 
          0.12817846       0.17283034       0.38894057 
          0.88707402       0.17107678       0.04967126 
          0.60053401       0.20192028       0.62390004 
          0.35170265       0.10450791       0.85955321 
          0.84442259       0.62448665       0.13506522 
          0.48429122       0.43669659       0.35478071 
          0.28810989       0.60268766       0.49541576 
          0.94343773       0.29917555       0.46289887 
          0.71959407       0.11709192       0.25483350 
          0.36164845       0.91670947       0.45136267 
          0.33757689       0.32559050       0.65932139 
          0.54747518       0.85473237       0.61438133 
          0.89204349       0.89569096       0.52765183 
          0.94910070       0.29931215       0.50077713 
          0.25782676       0.61524650       0.27239004 
          0.54233527       0.28098945       0.67390365 
          0.16887443       0.33401041       0.54920545 
          0.94037601       0.84920645       0.07651271 
          0.06210793       0.56645724       0.38553983 
          0.43190838       0.04713911       0.66442049 
          0.67019844       0.46043611       0.86265152 
          0.79554467       0.97796091       0.41340330 
          0.49416775       0.78379905       0.46792385 
          0.37516016       0.59117887       0.84501286 
          0.52582737       0.62982045       0.59078270 
          0.09814428       0.66890789       0.07597896 
          0.97069360       0.57593889       0.77529511 
  
 
 
  
       4.87    4.88
       5.87    5.88
   
         24.76344702 
      -1512.04382313 
      -1509.03207575 
       -298.99567136 
       3170.77911944 
      -2609.61052727 
         -0.00303510 
       -149.67678414 
       3755.32434067 
        871.50499038 
        871.50802548 
        871.50600208 
   
  
  
       6.29    6.30
       6.30    6.30
   
        321.96830237 
        321.96685817 
        321.96782097 
   
  
  
       7.90    7.91
       7.90    7.91
   
        221.80573968 
        221.82314915 
        221.81154283 
   
  
  
       7.20    7.20
       7.20    7.20
   
        207.19807947 
        207.23528533 
        207.21048142 
   
  
  
       6.77    6.78
       6.85    6.86
   
        206.48873779 
        206.54319579 
        206.50689046 
   
  
  
       7.68    7.69
       8.21    8.22
   
        189.85030876 
        189.87258122 
        189.85773292 
   
  
  
       7.50    7.53
       8.56    8.59
   
        193.44666356 
        193.44567658 
        193.44633457 
   
  
  
       7.03    7.06
       7.72    7.75
   
        239.42106451 
        239.41488182 
        239.41900361 
   
  
  
       6.47    6.49
       7.16    7.18
   
        223.07857231 
        223.06904084 
        223.07539515 
   
  
  
       6.50    6.52
       6.97    6.99
   
        228.54288344 
        228.48511518 
        228.52362735 
   
  
  
       6.78    6.81
       7.20    7.24
   
        209.84552052 
        209.84412599 
        209.84505568 
   
  
  
       6.64    6.66
       7.11    7.14
   
        205.77234981 
        205.77453801 
        205.77307921 
   
  
  
       6.52    6.54
       6.96    6.98
   
        165.80808520 
        165.78215142 
        165.79944061 
   
  
  
       6.20    6.23
       6.64    6.67
   
        156.84841093 
        156.88724766 
        156.86135651 
   
  
  
       6.29    6.30
       6.72    6.73
   
        199.28671415 
        199.33444980 
        199.30262604 
   
  
  
       6.09    6.12
       6.50    6.52
   
        183.99504305 
        184.01969176 
        184.00325929 
   
  
  
       6.42    6.44
       6.85    6.87
   
         94.50965166 
         94.53835738 
         94.51922023 
   
  
  
       6.38    6.40
       6.86    6.88
   
         92.01029120 
         92.03706244 
         92.01921495 
   
  
  
       6.69    6.71
       7.16    7.18
   
         98.59153765 
         98.63662095 
         98.60656542 
   
  
  
       6.39    6.41
       6.92    6.95
   
        113.10308591 
        113.12555591 
        113.11057591 
   
  
  
       6.60    6.62
       7.04    7.06
   
        128.47460117 
        128.56644791 
        128.50521675 
   
  
  
       6.01    6.04
       6.53    6.56
   
        120.61838699 
        120.66341494 
        120.63339631 
   
  
  
       5.32    5.38
       5.83    5.90
   
        106.73406825 
        106.79578393 
        106.75464014 
   
  
  
       4.91    4.93
       5.30    5.32
   
        107.93186797 
        107.98856439 
        107.95076678 
   
  
  
       4.57    4.61
       4.98    5.02
   
        143.01896608 
        143.11291047 
        143.05028088 
   
  
  
       3.18    3.21
       3.69    3.72
   
        152.06267507 
        152.14491381 
        152.09008798 
   
  
  
       3.35    3.37
       3.75    3.78
   
        128.46962780 
        128.53915301 
        128.49280287 
   
  
  
       3.02    3.04
       3.40    3.43
   
        126.45374412 
        126.52482136 
        126.47743654 
   
  
  
       3.73    3.75
       4.18    4.19
   
        126.83395902 
        126.90556235 
        126.85782680 
   
  
  
       3.22    3.23
       3.60    3.62
   
        126.58639479 
        126.64987999 
        126.60755653 
   
  
  
       3.31    3.33
       3.68    3.70
   
        126.52951259 
        126.60591194 
        126.55497904 
   
  
  
       2.88    2.91
       3.26    3.29
   
        126.02859517 
        126.04987360 
        126.03568798 
   
  
  
       2.75    2.77
       3.25    3.27
   
        138.81531083 
        138.83008826 
        138.82023664 
   
  
  
       2.67    2.69
       3.06    3.09
   
        155.64250522 
        155.63405106 
        155.63968717 
   
  
  
       2.75    2.77
       3.16    3.18
   
        176.80638025 
        176.76141730 
        176.79139260 
   
  
  
       2.58    2.59
       2.99    3.00
   
        173.36644474 
        173.32482211 
        173.35257053 
   
  
  
       2.68    2.69
       3.03    3.05
   
        179.58313917 
        179.56089392 
        179.57572409 
   
  
  
       2.56    2.59
       2.94    2.97
   
        196.05184681 
        196.03930275 
        196.04766546 
   
  
  
       2.54    2.56
       2.90    2.92
   
        203.72085652 
        203.72545033 
        203.72238779 
   
  
  
       2.86    2.88
       3.21    3.24
   
        203.69512849 
        203.70007879 
        203.69677859 
   
  
  
       2.66    2.68
       3.03    3.05
   
        205.14987397 
        205.14710937 
        205.14895244 
   
  
  
       2.54    2.57
       2.92    2.95
   
        204.83539335 
        204.83095611 
        204.83391427 
   
  
  
       2.84    2.87
       3.22    3.25
   
        207.31077670 
        207.29801272 
        207.30652204 
   
  
  
       2.68    2.71
       3.09    3.12
   
        204.20786113 
        204.26965951 
        204.22846059 
   
  
  
       2.60    2.62
       2.99    3.03
   
        208.38250110 
        208.47372907 
        208.41291042 
   
  
  
       2.51    2.53
       2.89    2.91
   
        208.13102540 
        208.20973465 
        208.15726181 
   
  
  
       2.74    2.76
       3.14    3.16
   
        211.62858051 
        211.57776617 
        211.61164240 
   
  
  
       2.55    2.57
       2.93    2.95
   
        220.77248539 
        220.78457230 
        220.77651436 
   
  
  
       2.40    2.41
       2.76    2.78
   
        223.12875589 
        223.15743641 
        223.13831606 
   
  
  
       2.01    2.03
       2.40    2.42
   
        229.42637195 
        229.45610556 
        229.43628315 
   
  
  
       2.34    2.37
       2.72    2.74
   
        214.44852291 
        214.44469119 
        214.44724567 
   
  
  
       2.70    2.71
       3.08    3.10
   
        210.93903466 
        210.93390780 
        210.93732571 
   
  
  
       3.01    3.02
       3.38    3.40
   
        210.28313933 
        210.27478397 
        210.28035421 
   
  
  
       2.80    2.83
       3.17    3.20
   
        209.99403677 
        209.98209009 
        209.99005454 
   
  
  
       2.98    2.99
       3.35    3.37
   
        210.24700223 
        210.23222690 
        210.24207712 
   
  
  
       2.71    2.73
       3.09    3.11
   
        212.58260616 
        212.58665577 
        212.58395603 
   
  
  
       2.46    2.48
       2.84    2.86
   
        213.80424949 
        213.80293099 
        213.80380999 
   
  
  
       2.84    2.85
       3.31    3.33
   
        214.31075151 
        214.30372617 
        214.30840973 
   
  
  
       3.47    3.51
       3.88    3.91
   
    **************** 
    **************** 
    ****************