vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 28 
  22:04:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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      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 
    
   
   
           0.38256132       0.30772529       0.44380819 
           0.51315607       0.35535830       0.50218856 
           0.63566528       0.38648700       0.42137095 
           0.72564445       0.45304297       0.49802122 
           0.69842183       0.26841242       0.37984379 
           0.60808724       0.45764006       0.31068308 
           0.39072438       0.17247211       0.40780063 
           0.28384745       0.31670302       0.53706903 
           0.53894575       0.30485097       0.62217392 
           0.34765247       0.37614185       0.33355149 
           0.47368335       0.62680355       0.51999574 
           0.49629027       0.75279895       0.48457514 
   
  
  
           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 
          0.00000000       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
       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  
   
   
        60
        -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
       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      0.72000000      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
        50.00000000
         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  
  
 
 
        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      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 
   
  
  
          0.38256132       0.30772529       0.44380819 
          0.51315607       0.35535830       0.50218856 
          0.63566528       0.38648700       0.42137095 
          0.72564445       0.45304297       0.49802122 
          0.69842183       0.26841242       0.37984379 
          0.60808724       0.45764006       0.31068308 
          0.39072438       0.17247211       0.40780063 
          0.28384745       0.31670302       0.53706903 
          0.53894575       0.30485097       0.62217392 
          0.34765247       0.37614185       0.33355149 
          0.47368335       0.62680355       0.51999574 
          0.49629027       0.75279895       0.48457514 
  
 
 
  
       3.98    4.13
       4.08    4.23
   
         15.25316852 
       2420.51574654 
      -6749.75131148 
        303.70233197 
       4104.28886790 
      -4141.72589677 
          0.00932453 
       -371.25112108 
       5082.48689363 
        663.52800377 
        663.51867924 
        663.52489559 
   
  
  
       5.32    5.36
       5.32    5.36
   
         97.36296940 
         97.35835756 
         97.36143212 
   
  
  
       4.26    4.27
       4.26    4.27
   
        -55.89874536 
        -55.85880471 
        -55.88543181 
   
  
  
       4.39    4.39
       4.39    4.39
   
        -60.52639175 
        -60.47006724 
        -60.50761692 
   
  
  
       4.68    4.70
       4.71    4.72
   
        -60.61379915 
        -60.55739149 
        -60.59499660 
   
  
  
       4.29    4.29
       4.41    4.42
   
        -58.11549822 
        -58.05908983 
        -58.09669543 
   
  
  
       4.59    4.59
       4.71    4.72
   
        -57.96444681 
        -57.90804023 
        -57.94564462 
   
  
  
       4.29    4.29
       4.41    4.42
   
        -57.96405783 
        -57.90765178 
        -57.94525581 
   
  
  
       4.62    4.63
       4.74    4.75
   
        -57.96739880 
        -57.91099229 
        -57.94859663 
   
  
  
       4.56    4.57
       4.68    4.69
   
        -57.96805438 
        -57.91164764 
        -57.94925214 
   
  
  
       4.33    4.35
       4.46    4.48
   
        -57.96859581 
        -57.91218910 
        -57.94979358 
   
  
  
       4.22    4.23
       4.34    4.36
   
        -57.96917519 
        -57.91276853 
        -57.95037297 
   
  
  
       3.74    3.76
       3.87    3.88
   
        -57.96948806 
        -57.91308143 
        -57.95068585 
   
  
  
       3.81    3.81
       3.93    3.93
   
        -57.96984446 
        -57.91343791 
        -57.95104228 
   
  
  
       3.42    3.43
       3.55    3.55
   
        -57.96999637 
        -57.91358988 
        -57.95119421 
   
  
  
       3.22    3.23
       3.36    3.36
   
        -57.97009561 
        -57.91368918 
        -57.95129347 
   
  
  
       3.15    3.16
       3.29    3.30
   
        -57.97012350 
        -57.91371707 
        -57.95132136 
   
  
  
       2.99    3.01
       3.12    3.14
   
        -57.97014417 
        -57.91373775 
        -57.95134203 
   
  
  
       2.95    2.98
       3.08    3.12
   
        -57.97015444 
        -57.91374803 
        -57.95135230 
   
  
  
       2.43    2.52
       2.53    2.62
   
         15.25316852 
       2420.51574654 
      -6805.28452620 
        308.41282227 
       5597.40897376 
      -5634.82706758 
         -0.05640641 
      -1041.87976314 
       5082.48689363 
        -57.97015860 
        -57.91375219 
        -57.95135646