vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  15:23:02 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000       8.00000000       0.00000000 
            0.00000000       0.00000000       8.00000000 
    
        640.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.12500000       0.00000000 
            0.00000000       0.00000000       0.12500000 
    
   
   
           0.38585357       0.42222981       0.54252209 
           0.43603823       0.56953290       0.43532719 
           0.57183339       0.54351064       0.34768262 
           0.34082455       0.60472297       0.31476258 
           0.26524619       0.46265392       0.60900485 
           0.37115909       0.28014805       0.45232012 
           0.60438229       0.68493022       0.26283255 
           0.66951496       0.51382941       0.46168064 
           0.56880439       0.41535458       0.23745596 
           0.47177896       0.39186564       0.67029791 
           0.44664105       0.67937026       0.51885835 
           0.50098100       0.91120970       0.51695912 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       40
       -1
       -1
        63.00000000
        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
     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
           0.00000006
           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
       40
       40
      100
       80
       80
    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      0.72000000      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  
        12.01100000     18.99800000      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
        32.00000000
         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
      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  
  
 
 
        12 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       7F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000       8.00000000       0.00000000 
           0.00000000       0.00000000       8.00000000 
   
       640.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.12500000       0.00000000 
           0.00000000       0.00000000       0.12500000 
   
  
  
          0.38585357       0.42222981       0.54252209 
          0.43603823       0.56953290       0.43532719 
          0.57183339       0.54351064       0.34768262 
          0.34082455       0.60472297       0.31476258 
          0.26524619       0.46265392       0.60900485 
          0.37115909       0.28014805       0.45232012 
          0.60438229       0.68493022       0.26283255 
          0.66951496       0.51382941       0.46168064 
          0.56880439       0.41535458       0.23745596 
          0.47177896       0.39186564       0.67029791 
          0.44664105       0.67937026       0.51885835 
          0.50098100       0.91120970       0.51695912 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.60    3.68
       3.66    3.74
   
         23.83307581 
       1656.86451371 
      -6016.39449833 
        304.50598981 
       4104.28886790 
      -4141.72589677 
         -0.01520075 
       -406.52871708 
       5082.48689363 
        607.31502794 
        607.33022869 
        607.32009486 
   
  
  
       5.24    5.24
       5.24    5.24
   
         36.57139244 
         36.57859862 
         36.57379450 
   
  
  
       4.31    4.31
       4.31    4.32
   
        -60.67361525 
        -60.61836265 
        -60.65519772 
   
  
  
       4.34    4.35
       4.34    4.35
   
        -62.34153169 
        -62.28618747 
        -62.32308362 
   
  
  
       4.79    4.80
       4.81    4.82
   
        -62.38387850 
        -62.32853240 
        -62.36542980 
   
  
  
       4.32    4.33
       4.40    4.40
   
        -59.59756915 
        -59.54261198 
        -59.57925009 
   
  
  
       4.61    4.62
       4.69    4.69
   
        -59.42466938 
        -59.36980735 
        -59.40638204 
   
  
  
       4.34    4.34
       4.41    4.41
   
        -59.42185620 
        -59.36704130 
        -59.40358456 
   
  
  
       4.34    4.36
       4.41    4.43
   
        -59.42368409 
        -59.36887398 
        -59.40541405 
   
  
  
       4.64    4.66
       4.71    4.73
   
        -59.42396690 
        -59.36914443 
        -59.40569274 
   
  
  
       4.30    4.30
       4.37    4.37
   
        -59.42444248 
        -59.36962173 
        -59.40616890 
   
  
  
       4.25    4.26
       4.32    4.33
   
        -59.42492181 
        -59.37010047 
        -59.40664803 
   
  
  
       4.00    4.01
       4.07    4.08
   
        -59.42531632 
        -59.37049511 
        -59.40704258 
   
  
  
       3.89    3.89
       3.96    3.97
   
        -59.42554554 
        -59.37072489 
        -59.40727199 
   
  
  
       3.37    3.38
       3.45    3.46
   
        -59.42562345 
        -59.37080267 
        -59.40734985 
   
  
  
       3.25    3.25
       3.32    3.33
   
        -59.42567507 
        -59.37085426 
        -59.40740147 
   
  
  
       3.21    3.22
       3.29    3.30
   
        -59.42568699 
        -59.37086624 
        -59.40741341 
   
  
  
       3.00    3.04
       3.09    3.12
   
        -59.42569873 
        -59.37087798 
        -59.40742515 
   
  
  
       2.00    2.20
       2.06    2.25
   
         23.83307581 
       1656.86451371 
      -6083.21038038 
        309.58772855 
       5655.55929278 
      -5693.08612100 
         -0.05482080 
      -1011.40588637 
       5082.48689363 
        -59.42570407 
        -59.37088326 
        -59.40743046