vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 08 
  12:57:56 
 
 
  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 
    
   
   
           0.51122968       0.51960649       0.52685522 
           0.51033471       0.66485768       0.52761861 
           0.51533779       0.33822713       0.52623818 
           0.40224833       0.50444901       0.52708627 
           0.56630879       0.50593712       0.62108488 
           0.56552342       0.50705902       0.43155925 
   
  
  
           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 
   
  
  
          0.51122968       0.51960649       0.52685522 
          0.51033471       0.66485768       0.52761861 
          0.51533779       0.33822713       0.52623818 
          0.40224833       0.50444901       0.52708627 
          0.56630879       0.50593712       0.62108488 
          0.56552342       0.50705902       0.43155925 
  
 
 
  
       2.90    2.99
       3.70    3.80
   
          0.29445765 
        136.54835086 
       -265.23500906 
         25.79634398 
        117.36544724 
       -117.96785702 
         -0.00475514 
        -83.91630134 
        209.52038720 
         22.40106436 
         22.40581950 
         22.40264941 
   
  
  
       3.16    3.25
       3.16    3.25
   
        -14.81214365 
        -14.81368207 
        -14.81265646 
   
  
  
       3.58    3.65
       3.59    3.65
   
        -19.31971383 
        -19.32556963 
        -19.32166577 
   
  
  
       3.53    3.63
       3.53    3.63
   
        -19.40562887 
        -19.41142718 
        -19.40756164 
   
  
  
       3.06    3.22
       3.16    3.34
   
        -19.40670344 
        -19.41250175 
        -19.40863621 
   
  
  
       2.68    2.80
       3.45    3.57
   
         -6.80523037 
         -6.81102923 
         -6.80716333 
   
  
  
       2.73    2.81
       3.32    3.40
   
        -17.07510962 
        -17.08090924 
        -17.07704283 
   
  
  
       2.60    2.78
       3.25    3.43
   
        -20.68801498 
        -20.69381554 
        -20.68994850 
   
  
  
       2.59    2.72
       3.28    3.42
   
        -23.14975396 
        -23.15555547 
        -23.15168779 
   
  
  
       2.37    2.51
       3.03    3.19
   
        -23.37375736 
        -23.37955913 
        -23.37569128 
   
  
  
       2.48    2.66
       3.09    3.27
   
        -23.63742063 
        -23.64322215 
        -23.63935447 
   
  
  
       2.85    2.97
       3.44    3.57
   
        -23.67493963 
        -23.68074054 
        -23.67687326 
   
  
  
       2.30    2.47
       2.86    3.03
   
        -23.71602113 
        -23.72182232 
        -23.71795486 
   
  
  
       2.59    2.71
       3.11    3.24
   
        -23.74295012 
        -23.74875152 
        -23.74488392 
   
  
  
       2.29    2.40
       2.80    2.92
   
        -23.76138942 
        -23.76719092 
        -23.76332326 
   
  
  
       2.64    2.73
       3.16    3.26
   
        -23.76426844 
        -23.77007010 
        -23.76620233 
   
  
  
       2.23    2.64
       2.77    3.18
   
        -23.76715714 
        -23.77295890 
        -23.76909106