vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:30:52 
 
 
  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 
    
   
   
           0.66398293       0.61813064       0.52240651 
           0.55492545       0.45235486       0.21310169 
           0.78903061       0.67010419       0.15401580 
           0.04112396       0.24192150       0.22489159 
           0.74771105       0.98052398       0.96377737 
           0.70993611       0.60461697       0.19011085 
           0.45269238       0.36552662       0.19119039 
           0.43866174       0.70234157       0.75391469 
           0.82974193       0.42108207       0.76469982 
           0.87145576       0.42501162       0.94448548 
           0.79708795       0.36960602       0.17661967 
           0.88013107       0.26837755       0.67333906 
           0.94206764       0.42705768       0.38813483 
           0.66154608       0.52821656       0.91438617 
           0.01936398       0.27325651       0.95959553 
           0.94989104       0.54436390       0.46570498 
           0.25045926       0.22873545       0.71756734 
           0.21858557       0.88497307       0.23093182 
           0.93902981       0.74676679       0.93456286 
           0.21001347       0.36737861       0.28194184 
           0.20093060       0.51628784       0.76900374 
           0.27057688       0.64480341       0.03126983 
           0.16361645       0.32727258       0.08518233 
           0.79404488       0.74975181       0.76089655 
           0.84605235       0.42255973       0.81648067 
           0.40855830       0.29433472       0.11269845 
           0.92625890       0.41283585       0.25360388 
           0.46175160       0.27981948       0.74910986 
           0.36942677       0.71335635       0.63631466 
           0.36971830       0.24427820       0.79094971 
           0.57210397       0.24457601       0.82771185 
           0.89864044       0.52736106       0.71110994 
           0.44307340       0.16767848       0.97381350 
           0.89112537       0.44345490       0.04648022 
           0.50833448       0.29153238       0.29760483 
   
  
  
           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 
   
  
  
          0.66398293       0.61813064       0.52240651 
          0.55492545       0.45235486       0.21310169 
          0.78903061       0.67010419       0.15401580 
          0.04112396       0.24192150       0.22489159 
          0.74771105       0.98052398       0.96377737 
          0.70993611       0.60461697       0.19011085 
          0.45269238       0.36552662       0.19119039 
          0.43866174       0.70234157       0.75391469 
          0.82974193       0.42108207       0.76469982 
          0.87145576       0.42501162       0.94448548 
          0.79708795       0.36960602       0.17661967 
          0.88013107       0.26837755       0.67333906 
          0.94206764       0.42705768       0.38813483 
          0.66154608       0.52821656       0.91438617 
          0.01936398       0.27325651       0.95959553 
          0.94989104       0.54436390       0.46570498 
          0.25045926       0.22873545       0.71756734 
          0.21858557       0.88497307       0.23093182 
          0.93902981       0.74676679       0.93456286 
          0.21001347       0.36737861       0.28194184 
          0.20093060       0.51628784       0.76900374 
          0.27057688       0.64480341       0.03126983 
          0.16361645       0.32727258       0.08518233 
          0.79404488       0.74975181       0.76089655 
          0.84605235       0.42255973       0.81648067 
          0.40855830       0.29433472       0.11269845 
          0.92625890       0.41283585       0.25360388 
          0.46175160       0.27981948       0.74910986 
          0.36942677       0.71335635       0.63631466 
          0.36971830       0.24427820       0.79094971 
          0.57210397       0.24457601       0.82771185 
          0.89864044       0.52736106       0.71110994 
          0.44307340       0.16767848       0.97381350 
          0.89112537       0.44345490       0.04648022 
          0.50833448       0.29153238       0.29760483 
  
 
 
  
       5.44    5.49
       5.92    5.98
   
         24.76344702 
       2490.25601701 
      -5311.54686682 
       -282.39290495 
       3170.77583059 
      -2609.60722799 
          0.00297912 
       -218.05284958 
       3755.32434067 
       1019.52276508 
       1019.51978596 
       1019.52177204 
   
  
  
       7.47    7.52
       7.47    7.52
   
        312.06145857 
        312.05269862 
        312.05853858 
   
  
  
       9.01    9.06
       9.01    9.06
   
        169.88418436 
        169.88154948 
        169.88330606 
   
  
  
       8.11    8.18
       8.12    8.18
   
        158.73838121 
        158.74425222 
        158.74033821 
   
  
  
       8.40    8.46
       8.52    8.59
   
        158.25040590 
        158.25855476 
        158.25312219 
   
  
  
       8.79    8.84
       9.40    9.46
   
        188.97968052 
        189.00882741 
        188.98939615 
   
  
  
       8.94    8.99
       9.51    9.57
   
        120.05533237 
        120.04327460 
        120.05131311 
   
  
  
       7.81    7.87
       8.37    8.43
   
        226.12040894 
        226.11362678 
        226.11814822 
   
  
  
       7.54    7.60
       8.10    8.17
   
        223.58315107 
        223.58761246 
        223.58463820 
   
  
  
       7.59    7.64
       8.15    8.21
   
        223.43811124 
        223.44090604 
        223.43904284 
   
  
  
       7.18    7.23
       7.74    7.79
   
        227.48722077 
        227.48963596 
        227.48802583 
   
  
  
       7.12    7.17
       7.68    7.74
   
        218.71704279 
        218.70233888 
        218.71214149 
   
  
  
       7.28    7.33
       7.83    7.89
   
        213.16306816 
        213.17873500 
        213.16829044 
   
  
  
       6.86    6.92
       7.42    7.50
   
        216.13305430 
        216.14506502 
        216.13705787 
   
  
  
       7.90    7.97
       8.48    8.56
   
        207.76924760 
        207.70410872 
        207.74753464 
   
  
  
       7.21    7.26
       7.78    7.83
   
        201.29859542 
        201.22262796 
        201.27327293 
   
  
  
       6.85    6.91
       7.41    7.47
   
        207.79588627 
        207.71871190 
        207.77016148 
   
  
  
       7.31    7.37
       7.88    7.94
   
        209.07648105 
        208.99463187 
        209.04919799 
   
  
  
       7.78    7.84
       8.38    8.44
   
        209.50475701 
        209.42340553 
        209.47763985 
   
  
  
       7.38    7.45
       7.99    8.06
   
        206.36435325 
        206.28245595 
        206.33705415 
   
  
  
       7.37    7.43
       7.95    8.01
   
        206.15030625 
        206.07205057 
        206.12422102 
   
  
  
       7.58    7.64
       8.15    8.21
   
        219.26068364 
        219.24546130 
        219.25560952 
   
  
  
       6.74    6.80
       7.32    7.38
   
        226.67238846 
        226.69146410 
        226.67874701 
   
  
  
       5.87    5.93
       6.43    6.50
   
        226.73424103 
        226.84285202 
        226.77044469 
   
  
  
       4.97    5.03
       5.59    5.66
   
        223.22215014 
        223.27676098 
        223.24035375 
   
  
  
       5.21    5.27
       5.78    5.84
   
        223.76286894 
        223.82063701 
        223.78212496 
   
  
  
       4.90    4.97
       5.46    5.53
   
        227.53483149 
        227.57680199 
        227.54882166 
   
  
  
       5.30    5.35
       5.88    5.93
   
        229.82115376 
        229.83498346 
        229.82576366 
   
  
  
       5.03    5.08
       5.59    5.65
   
        231.27425688 
        231.36787374 
        231.30546250 
   
  
  
       5.38    5.43
       5.95    6.00
   
        232.09870203 
        232.19349589 
        232.13029998 
   
  
  
       4.75    4.82
       5.32    5.39
   
        231.49484010 
        231.53106970 
        231.50691663 
   
  
  
       4.94    5.02
       5.52    5.60
   
        235.28569609 
        235.41673434 
        235.32937551 
   
  
  
       4.92    4.98
       5.50    5.56
   
        235.46413807 
        235.58635331 
        235.50487648 
   
  
  
       5.22    5.28
       5.80    5.85
   
        235.71539535 
        235.75281813 
        235.72786961 
   
  
  
       4.52    4.57
       5.09    5.15
   
        235.78801802 
        235.87603207 
        235.81735604 
   
  
  
       4.61    4.67
       5.19    5.25
   
        236.33490487 
        236.41989086 
        236.36323353 
   
  
  
       4.70    4.76
       5.29    5.36
   
        236.10491392 
        236.18305322 
        236.13096035 
   
  
  
       4.62    4.67
       5.20    5.25
   
        238.11145600 
        238.11198214 
        238.11163138 
   
  
  
       5.21    5.27
       5.81    5.88
   
        239.77596299 
        239.81448070 
        239.78880223 
   
  
  
       4.62    4.67
       5.21    5.27
   
        240.76996770 
        240.81307166 
        240.78433568 
   
  
  
       5.05    5.11
       5.63    5.70
   
        245.71654875 
        245.72806664 
        245.72038805 
   
  
  
       5.34    5.42
       5.98    6.07
   
        247.52730315 
        247.53436405 
        247.52965678 
   
  
  
       5.89    5.95
       6.54    6.60
   
        247.67069452 
        247.67877584 
        247.67338829 
   
  
  
       4.60    4.66
       5.20    5.26
   
        248.58198011 
        248.59754910 
        248.58716977 
   
  
  
       4.54    4.59
       5.14    5.19
   
        254.90068467 
        254.93141489 
        254.91092808