vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 08 
  12:57:55 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.51090052       0.54764027       0.52699898 
           0.51034996       0.65041746       0.52755304 
           0.51578394       0.32140814       0.52626498 
           0.40605304       0.50578352       0.52704281 
           0.56428948       0.50681646       0.61770801 
           0.56360578       0.50807059       0.43487458 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       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       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       12
       -1
       -1
         9.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000021
           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
   
  
  
       50
       50
       50
      100
      100
      100
    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
         0.77000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000      1.00000000
         0.00000000      0.00000000
         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
       100.00000000
         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
       60
        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  
  
 
 
         6 
         2 
  
   ion
   element
   atomtype
   
    C    1
    H    2
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       5H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.51090052       0.54764027       0.52699898 
          0.51034996       0.65041746       0.52755304 
          0.51578394       0.32140814       0.52626498 
          0.40605304       0.50578352       0.52704281 
          0.56428948       0.50681646       0.61770801 
          0.56360578       0.50807059       0.43487458 
  
 
 
  
       2.39    2.52
       2.92    3.05
   
          0.29445765 
        144.09760528 
       -267.63875048 
         26.02082026 
        117.36544724 
       -117.96785702 
         -0.00260461 
        -87.40390356 
        209.52038720 
         24.28560196 
         24.28820657 
         24.28647016 
   
  
  
       2.98    3.06
       2.98    3.06
   
        -15.66537889 
        -15.66611012 
        -15.66562263 
   
  
  
       3.47    3.57
       3.47    3.57
   
        -20.58626509 
        -20.59216549 
        -20.58823189 
   
  
  
       3.27    3.33
       3.27    3.33
   
        -20.71349350 
        -20.71929145 
        -20.71542615 
   
  
  
       3.26    3.35
       3.32    3.42
   
        -20.71490485 
        -20.72070280 
        -20.71683750 
   
  
  
       2.21    2.36
       2.80    2.95
   
         -6.43460608 
         -6.44040403 
         -6.43653873 
   
  
  
       2.80    2.96
       3.31    3.48
   
        -18.64313668 
        -18.64893470 
        -18.64506935 
   
  
  
       2.75    2.87
       3.31    3.43
   
        -21.67117506 
        -21.67697314 
        -21.67310775 
   
  
  
       2.49    2.71
       3.07    3.29
   
        -24.33074974 
        -24.33654787 
        -24.33268245 
   
  
  
       2.06    2.21
       2.68    2.83
   
        -24.63555056 
        -24.64134871 
        -24.63748328 
   
  
  
       2.16    2.40
       2.74    2.99
   
        -24.70571171 
        -24.71150985 
        -24.70764442 
   
  
  
       2.80    2.99
       3.41    3.60
   
        -24.80000781 
        -24.80580589 
        -24.80194051 
   
  
  
       2.81    2.91
       3.27    3.38
   
        -24.81287878 
        -24.81867686 
        -24.81481147 
   
  
  
       2.32    2.46
       2.84    3.00
   
        -24.83061905 
        -24.83641715 
        -24.83255175 
   
  
  
       2.57    2.74
       3.19    3.36
   
        -24.83863095 
        -24.84442906 
        -24.84056365 
   
  
  
       2.51    2.64
       3.03    3.17
   
        -24.84358018 
        -24.84937828 
        -24.84551288 
   
  
  
       2.39    2.48
       2.90    3.00
   
        -24.84664776 
        -24.85244587 
        -24.84858046 
   
  
  
       2.06    2.58
       2.55    3.08
   
        -24.84819926 
        -24.85399738 
        -24.85013197