vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  03:01:49 
 
 
  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 
    
   
   
           0.38506887       0.42860690       0.53232844 
           0.44266077       0.52405254       0.38709920 
           0.58440242       0.51731059       0.32480218 
           0.35388283       0.57299969       0.27222873 
           0.26241200       0.48966573       0.57103963 
           0.36972348       0.26219062       0.49556631 
           0.61987393       0.66721650       0.25773297 
           0.67060284       0.47947158       0.44956188 
           0.59916369       0.40015865       0.20151385 
           0.46447571       0.43933980       0.66907685 
           0.47880390       0.84384779       0.56839431 
           0.41731969       0.89321399       0.58849730 
   
  
  
           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 
   
  
  
          0.38506887       0.42860690       0.53232844 
          0.44266077       0.52405254       0.38709920 
          0.58440242       0.51731059       0.32480218 
          0.35388283       0.57299969       0.27222873 
          0.26241200       0.48966573       0.57103963 
          0.36972348       0.26219062       0.49556631 
          0.61987393       0.66721650       0.25773297 
          0.67060284       0.47947158       0.44956188 
          0.59916369       0.40015865       0.20151385 
          0.46447571       0.43933980       0.66907685 
          0.47880390       0.84384779       0.56839431 
          0.41731969       0.89321399       0.58849730 
  
 
 
  
      10.12   10.18
      10.25   10.32
   
         23.83307581 
       1487.73575786 
      -5847.96941425 
        306.47319512 
       4102.18079837 
      -4139.55860478 
         -0.00035918 
       -427.21221530 
       5082.48689363 
        587.96912728 
        587.96948646 
        587.96924701 
   
  
  
      12.36   12.38
      12.36   12.38
   
         35.44442125 
         35.43720461 
         35.44201570 
   
  
  
      10.40   10.41
      10.40   10.41
   
        -52.07070158 
        -52.07778972 
        -52.07306430 
   
  
  
      10.98   10.99
      10.98   10.99
   
        -53.50601343 
        -53.51184741 
        -53.50795809 
   
  
  
      11.11   11.13
      11.15   11.17
   
        -53.54324835 
        -53.54907698 
        -53.54519123 
   
  
  
      10.26   10.27
      10.43   10.44
   
        -23.12089043 
        -23.12670447 
        -23.12282845 
   
  
  
      11.12   11.13
      11.29   11.31
   
        -87.51120399 
        -87.46431459 
        -87.49557419 
   
  
  
       9.04    9.05
       9.21    9.22
   
        -37.35289370 
        -37.31335569 
        -37.33971436 
   
  
  
       9.22    9.23
       9.39    9.40
   
        -51.52780456 
        -51.53439743 
        -51.53000219 
   
  
  
      10.46   10.47
      10.63   10.64
   
        -56.28248400 
        -56.28834560 
        -56.28443787 
   
  
  
      10.43   10.44
      10.60   10.61
   
        -58.49773561 
        -58.50357808 
        -58.49968310 
   
  
  
       9.80    9.81
       9.97    9.98
   
        -59.69403222 
        -59.69985820 
        -59.69597421 
   
  
  
      10.98   10.99
      11.17   11.18
   
        -58.76870146 
        -58.77452562 
        -58.77064285 
   
  
  
       9.85    9.86
      10.02   10.03
   
        -55.32877801 
        -55.33460248 
        -55.33071950 
   
  
  
       9.58    9.60
       9.76    9.77
   
        -58.25284030 
        -58.25867131 
        -58.25478397 
   
  
  
      11.49   11.49
      11.66   11.67
   
        -84.43400125 
        -84.44013933 
        -84.43604728 
   
  
  
      10.95   10.97
      11.14   11.16
   
      -2097.03303798 
      -2097.00105652 
      -2097.02237750 
   
  
  
       9.70    9.72
       9.89    9.91
   
        -50.39516454 
        -50.38693133 
        -50.39242014 
   
  
  
      13.33   13.34
      13.51   13.52
   
      -1614.70014022 
      -1614.69806066 
      -1614.69944703 
   
  
  
       8.65    8.72
       8.83    8.90
   
        -51.57068287 
        -51.57390897 
        -51.57175824 
   
  
  
       8.92    8.93
       9.09    9.11
   
        -58.95810134 
        -58.96398193 
        -58.96006154 
   
  
  
       7.42    7.45
       7.58    7.62
   
        -61.26744549 
        -61.27326932 
        -61.26938677 
   
  
  
       2.76    2.87
       2.96    3.10
   
        -61.19015953 
        -61.19598188 
        -61.19210032 
   
  
  
       0.94    0.95
       1.09    1.11
   
        -60.29919520 
        -60.30501719 
        -60.30113586 
   
  
  
       0.69    0.77
       0.85    0.93
   
       -307.01792065 
       -307.03769721 
       -307.02451283 
   
  
  
       0.71    0.71
       0.87    0.87
   
        -58.82408373 
        -58.82990772 
        -58.82602506 
   
  
  
       0.68    0.69
       0.83    0.84
   
        -60.12740306 
        -60.13322563 
        -60.12934392 
   
  
  
       0.79    0.79
       0.94    0.94
   
        -59.61108864 
        -59.61691183 
        -59.61302970 
   
  
  
       0.74    0.74
       0.90    0.90
   
        -60.54972053 
        -60.55554378 
        -60.55166161 
   
  
  
       0.70    0.70
       0.86    0.87
   
        -58.40949914 
        -58.41532770 
        -58.41144200 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -59.62288678 
        -59.62871276 
        -59.62482877 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -59.99890724 
        -60.00473287 
        -60.00084911 
   
  
  
       0.68    0.69
       0.84    0.84
   
        -53.20108897 
        -53.20694743 
        -53.20304179 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -59.97850624 
        -59.98433336 
        -59.98044861 
   
  
  
       0.66    0.67
       0.82    0.83
   
        -53.06648277 
        -53.07238467 
        -53.06845007 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -60.49619792 
        -60.50202144 
        -60.49813909 
   
  
  
       0.84    0.85
       1.00    1.01
   
     -15147.66989803 
     -15147.66719481 
     -15147.66899696 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -29.42588731 
        -29.40581114 
        -29.41919525 
   
  
  
       0.74    0.74
       0.90    0.90
   
        -53.48448070 
        -53.48938372 
        -53.48611504 
   
  
  
       0.73    0.74
       0.90    0.90
   
        -60.31106511 
        -60.31690202 
        -60.31301075 
   
  
  
       0.73    0.74
       0.90    0.91
   
        -62.52279474 
        -62.52861014 
        -62.52473321 
   
  
  
       0.80    0.81
       0.96    0.97
   
       -176.76554670 
       -176.76336952 
       -176.76482097 
   
  
  
       0.74    0.75
       0.91    0.92
   
       -315.85774224 
       -315.87319773 
       -315.86289407 
   
  
  
       0.73    0.73
       0.89    0.90
   
        -53.06924780 
        -53.07507226 
        -53.07118929 
   
  
  
       0.74    0.74
       0.90    0.91
   
        -57.87646463 
        -57.88231414 
        -57.87841447 
   
  
  
       0.86    0.86
       1.02    1.03
   
      -6838.95305276 
      -6838.96918610 
      -6838.95843054 
   
  
  
       0.72    0.73
       0.88    0.89
   
        -50.71442702 
        -50.70404111 
        -50.71096505 
   
  
  
       0.72    0.72
       0.89    0.89
   
        -59.31421689 
        -59.32213418 
        -59.31685599 
   
  
  
       0.73    0.74
       0.90    0.91
   
        -60.25704227 
        -60.26287099 
        -60.25898518 
   
  
  
       0.73    0.73
       0.90    0.90
   
        -63.92217559 
        -63.92798610 
        -63.92411243 
   
  
  
       0.70    0.70
       0.86    0.87
   
        -61.19810139 
        -61.20392221 
        -61.20004166 
   
  
  
       0.66    0.67
       0.83    0.83
   
        -55.23593561 
        -55.24233233 
        -55.23806785