vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 08 
  12:57:57 
 
 
  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 
    
   
   
           0.51191353       0.45666970       0.52660963 
           0.51164916       0.75071764       0.52742382 
           0.51320144       0.34985519       0.52633040 
           0.40623944       0.49280455       0.52694648 
           0.56419213       0.49487184       0.61767616 
           0.56378703       0.49521750       0.43545591 
   
  
  
           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 
   
  
  
          0.51191353       0.45666970       0.52660963 
          0.51164916       0.75071764       0.52742382 
          0.51320144       0.34985519       0.52633040 
          0.40623944       0.49280455       0.52694648 
          0.56419213       0.49487184       0.61767616 
          0.56378703       0.49521750       0.43545591 
  
 
 
  
       2.94    3.02
       3.58    3.66
   
          0.29445765 
        133.46878797 
       -257.87092321 
         25.81173871 
        117.36544724 
       -117.96785702 
          0.00354492 
        -87.28294999 
        209.52038720 
         23.34263347 
         23.33908855 
         23.34145183 
   
  
  
       3.00    3.07
       3.00    3.07
   
        -16.12216077 
        -16.12838224 
        -16.12423460 
   
  
  
       3.43    3.52
       3.43    3.52
   
        -20.80317457 
        -20.80897926 
        -20.80510947 
   
  
  
       3.49    3.59
       3.49    3.59
   
        -20.93267041 
        -20.93846839 
        -20.93460307 
   
  
  
       3.08    3.19
       3.17    3.30
   
        -20.93377237 
        -20.93957036 
        -20.93570504 
   
  
  
       2.51    2.63
       3.18    3.30
   
         -7.32505361 
         -7.33085168 
         -7.32698630 
   
  
  
       2.78    2.87
       3.38    3.49
   
        -19.09313868 
        -19.09893680 
        -19.09507139 
   
  
  
       2.71    2.89
       3.23    3.42
   
        -21.91924249 
        -21.92504067 
        -21.92117522 
   
  
  
       2.54    2.65
       3.23    3.35
   
        -24.73152266 
        -24.73732091 
        -24.73345541 
   
  
  
       2.09    2.24
       2.76    2.91
   
        -24.96626184 
        -24.97206011 
        -24.96819460 
   
  
  
       2.11    2.31
       2.65    2.86
   
        -25.01444178 
        -25.02024004 
        -25.01637453 
   
  
  
       2.22    2.37
       2.77    2.92
   
        -25.05837067 
        -25.06416885 
        -25.06030340 
   
  
  
       2.54    2.69
       3.03    3.19
   
        -25.06994724 
        -25.07574542 
        -25.07187997 
   
  
  
       2.27    2.40
       2.73    2.86
   
        -25.07858124 
        -25.08437945 
        -25.08051397 
   
  
  
       2.84    2.95
       3.32    3.43
   
        -25.08187475 
        -25.08767298 
        -25.08380750 
   
  
  
       2.53    2.65
       3.00    3.12
   
        -25.08912372 
        -25.09492197 
        -25.09105647 
   
  
  
       2.52    2.65
       3.04    3.17
   
        -25.09291597 
        -25.09871422 
        -25.09484872 
   
  
  
       1.80    2.43
       2.26    2.91
   
        -25.09368819 
        -25.09948645 
        -25.09562095 
   
  
  
       0.68    0.90
       1.14    1.36
   
        -25.09400973 
        -25.09980800 
        -25.09594249