vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 01 
  23:31:48 
 
 
  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 
    
   
   
           0.13624019       0.60516811       0.28690787 
           0.35927289       0.06941398       0.97822175 
           0.22147315       0.17867155       0.80501060 
           0.33330179       0.53909573       0.71102977 
           0.93942359       0.83894639       0.82304552 
           0.46339609       0.56452767       0.00086696 
           0.37288972       0.19936054       0.32663084 
           0.24079924       0.06066503       0.92318357 
           0.10395017       0.37260397       0.14649964 
           0.57018242       0.28190150       0.37796852 
           0.32854955       0.81656198       0.74992287 
           0.35444630       0.98904749       0.69470778 
   
  
  
           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 
   
  
  
          0.13624019       0.60516811       0.28690787 
          0.35927289       0.06941398       0.97822175 
          0.22147315       0.17867155       0.80501060 
          0.33330179       0.53909573       0.71102977 
          0.93942359       0.83894639       0.82304552 
          0.46339609       0.56452767       0.00086696 
          0.37288972       0.19936054       0.32663084 
          0.24079924       0.06066503       0.92318357 
          0.10395017       0.37260397       0.14649964 
          0.57018242       0.28190150       0.37796852 
          0.32854955       0.81656198       0.74992287 
          0.35444630       0.98904749       0.69470778 
  
  
     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 
  
 
 
  
       4.14    4.21
       4.20    4.27
   
         23.83307581 
       -955.58875025 
      -3506.18617724 
        293.44531101 
       4104.28886790 
      -4141.72589677 
         -0.00664292 
       -353.60035098 
       5082.48689363 
        546.94633020 
        546.95297312 
        546.94854451 
   
  
  
       4.88    4.89
       4.88    4.89
   
         49.40296098 
         49.41067223 
         49.40553139 
   
  
  
       4.26    4.27
       4.26    4.27
   
        -40.00584464 
        -39.95115023 
        -39.98761317 
   
  
  
       4.01    4.01
       4.01    4.01
   
        -42.14269044 
        -42.08711154 
        -42.12416414 
   
  
  
       4.22    4.23
       4.25    4.26
   
        -42.19707558 
        -42.14142703 
        -42.17852607 
   
  
  
       3.96    3.97
       4.04    4.04
   
        -54.75961388 
        -54.52313234 
        -54.68078670 
   
  
  
       3.69    3.70
       3.77    3.78
   
        -32.75037494 
        -32.77210620 
        -32.75761869 
   
  
  
       3.81    3.82
       3.89    3.89
   
        -29.98400443 
        -29.95619506 
        -29.97473464 
   
  
  
       3.71    3.71
       3.79    3.80
   
        -29.29500957 
        -29.13974864 
        -29.24325592 
   
  
  
       3.68    3.68
       3.75    3.76
   
        -27.92137398 
        -27.86840261 
        -27.90371686 
   
  
  
       4.15    4.16
       4.23    4.23
   
        -25.91543285 
        -25.96353631 
        -25.93146734 
   
  
  
       3.95    3.96
       4.03    4.04
   
        -25.14776928 
        -25.13533400 
        -25.14362418 
   
  
  
       3.95    3.96
       4.02    4.03
   
        -24.08837677 
        -23.90527809 
        -24.02734388 
   
  
  
       4.09    4.10
       4.17    4.18
   
        -23.51586213 
        -23.44555804 
        -23.49242743 
   
  
  
       4.04    4.04
       4.12    4.12
   
        -22.77579888 
        -22.79526103 
        -22.78228626 
   
  
  
       3.75    3.75
       3.82    3.83
   
        -22.60191927 
        -22.64988945 
        -22.61790933 
   
  
  
       4.15    4.16
       4.23    4.23
   
        -23.24942489 
        -23.23391267 
        -23.24425415 
   
  
  
       3.69    3.70
       3.76    3.77
   
        -23.17970097 
        -23.15321083 
        -23.17087092 
   
  
  
       4.06    4.07
       4.14    4.15
   
        -24.11186657 
        -24.06680193 
        -24.09684502 
   
  
  
       3.72    3.72
       3.80    3.81
   
        -23.23713454 
        -23.12177531 
        -23.19868147 
   
  
  
       4.38    4.38
       4.45    4.45
   
        -23.22223043 
        -23.10204634 
        -23.18216907 
   
  
  
       4.75    4.76
       4.83    4.83
   
        -23.10791293 
        -23.06735140 
        -23.09439242 
   
  
  
       3.95    4.12
       4.03    4.19
   
        -23.29354644 
        -23.06602614 
        -23.21770634 
   
  
  
       1.39    1.65
       1.52    1.83
   
        -22.33393107 
        -22.01039812 
        -22.22608675