vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  02:30:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.38444913       0.42665729       0.53475963 
           0.44095040       0.53346207       0.39726765 
           0.58090507       0.52436311       0.33060848 
           0.35059324       0.58453518       0.28397449 
           0.26241731       0.48395062       0.58155024 
           0.36868484       0.26394019       0.48375550 
           0.61667515       0.67166697       0.25843437 
           0.66996311       0.48857205       0.45340497 
           0.59182950       0.40310130       0.21021387 
           0.46554276       0.42500418       0.67090888 
           0.46473468       0.81042799       0.55767085 
           0.45164494       0.90239342       0.55529276 
   
  
  
           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
       44
       -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
   
   
         2
     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 
   
  
  
          0.38444913       0.42665729       0.53475963 
          0.44095040       0.53346207       0.39726765 
          0.58090507       0.52436311       0.33060848 
          0.35059324       0.58453518       0.28397449 
          0.26241731       0.48395062       0.58155024 
          0.36868484       0.26394019       0.48375550 
          0.61667515       0.67166697       0.25843437 
          0.66996311       0.48857205       0.45340497 
          0.59182950       0.40310130       0.21021387 
          0.46554276       0.42500418       0.67090888 
          0.46473468       0.81042799       0.55767085 
          0.45164494       0.90239342       0.55529276 
  
 
 
  
       9.91   10.05
      10.07   10.22
   
         23.83307581 
       1512.22847230 
      -5873.06144272 
        306.49070757 
       4102.18079837 
      -4139.55860478 
          0.00103740 
       -426.87532119 
       5082.48689363 
        587.72561639 
        587.72457899 
        587.72527059 
   
  
  
      12.30   12.31
      12.30   12.31
   
         34.86071071 
         34.85713027 
         34.85951723 
   
  
  
      10.40   10.42
      10.40   10.42
   
        -52.22161138 
        -52.22828904 
        -52.22383727 
   
  
  
      10.73   10.75
      10.74   10.75
   
        -53.67801164 
        -53.68386121 
        -53.67996150 
   
  
  
      11.20   11.21
      11.24   11.25
   
        -53.71656694 
        -53.72242333 
        -53.71851907 
   
  
  
      12.06   12.07
      12.25   12.26
   
      -3327.48123020 
      -3327.49143474 
      -3327.48463171 
   
  
  
      10.34   10.36
      10.52   10.53
   
     -40687.38350472 
     -40687.38793022 
     -40687.38497989 
   
  
  
      11.82   11.84
      11.99   12.01
   
        -40.34359874 
        -40.34499645 
        -40.34406464 
   
  
  
       9.81    9.82
       9.99   10.00
   
        -39.01203680 
        -39.01795842 
        -39.01401067 
   
  
  
      10.24   10.25
      10.42   10.43
   
        -52.74499139 
        -52.75087064 
        -52.74695114 
   
  
  
      10.85   10.86
      11.02   11.03
   
        -57.76093527 
        -57.76680353 
        -57.76289136 
   
  
  
      10.10   10.11
      10.28   10.29
   
        -60.53771887 
        -60.54358367 
        -60.53967380 
   
  
  
       9.62    9.64
       9.80    9.82
   
        -54.92240875 
        -54.92821051 
        -54.92434267 
   
  
  
      10.05   10.06
      10.22   10.23
   
        -60.20702479 
        -60.21289006 
        -60.20897988 
   
  
  
      10.20   10.22
      10.38   10.40
   
        -60.46447771 
        -60.47034148 
        -60.46643230 
   
  
  
      10.07   10.08
      10.24   10.25
   
        -60.61857785 
        -60.62443992 
        -60.62053187 
   
  
  
      11.75   11.80
      11.92   11.97
   
     -84981.51539002 
     -84981.51102800 
     -84981.51393602 
   
  
  
       9.50    9.52
       9.68    9.70
   
         16.68435167 
         16.67826388 
         16.68232241 
   
  
  
      10.21   10.23
      10.39   10.41
   
        -52.47570129 
        -52.47647918 
        -52.47596059 
   
  
  
       8.85    8.87
       9.02    9.04
   
        -60.19182749 
        -60.19768397 
        -60.19377965 
   
  
  
       8.59    8.62
       8.76    8.78
   
        -60.52040989 
        -60.52626656 
        -60.52236212 
   
  
  
       7.31    7.33
       7.47    7.51
   
        -60.53492581 
        -60.54078261 
        -60.53687808 
   
  
  
       5.88    5.94
       6.04    6.10
   
        -60.53653876 
        -60.54239581 
        -60.53849111 
   
  
  
       4.34    4.41
       4.51    4.58
   
        -60.54951914 
        -60.55537642 
        -60.55147156 
   
  
  
       1.01    1.02
       1.16    1.17
   
        -54.99633689 
        -55.00214243 
        -54.99827207 
   
  
  
       0.85    1.03
       1.01    1.19
   
        -61.02930822 
        -61.03516583 
        -61.03126076 
   
  
  
       0.70    0.71
       0.86    0.86
   
        -60.61708480 
        -60.62294236 
        -60.61903732