vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:28:20) complex                          parallel 
  Lin64 
  2025 12 03 
  20:32:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
   T  
       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  
      10
       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 
    
   
   
           0.38565320       0.42985272       0.53412965 
           0.44168819       0.55146694       0.41255861 
           0.57628254       0.52790014       0.33768570 
           0.34796573       0.58735466       0.28916325 
           0.26138574       0.47919376       0.58787118 
           0.36820022       0.26624961       0.47345902 
           0.61428986       0.67481110       0.25981829 
           0.67080102       0.49269954       0.45581761 
           0.58552384       0.40519134       0.21665070 
           0.46791005       0.41637973       0.67124869 
           0.46100541       0.75708788       0.54401935 
           0.46768434       0.92988695       0.53541965 
   
  
  
           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
       88
       -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
     T  
          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      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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     T  
          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
           0.00000003
           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
  
  
       10
         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 
   
  
  
          0.38565320       0.42985272       0.53412965 
          0.44168819       0.55146694       0.41255861 
          0.57628254       0.52790014       0.33768570 
          0.34796573       0.58735466       0.28916325 
          0.26138574       0.47919376       0.58787118 
          0.36820022       0.26624961       0.47345902 
          0.61428986       0.67481110       0.25981829 
          0.67080102       0.49269954       0.45581761 
          0.58552384       0.40519134       0.21665070 
          0.46791005       0.41637973       0.67124869 
          0.46100541       0.75708788       0.54401935 
          0.46768434       0.92988695       0.53541965 
  
 
 
  
      12.25   12.33
      12.53   12.61
   
         23.83307581 
       1507.72642198 
      -5880.35201214 
        330.17428027 
       4080.95378129 
      -4117.40366957 
         -0.00404789 
       -373.46616855 
       5082.48689363 
        653.94855484 
        653.95260272 
        653.94990413 
   
  
  
      15.15   15.15
      15.15   15.15
   
         90.21737919 
         90.22189320 
         90.21888386 
   
  
  
      12.92   12.94
      12.93   12.94
   
        -20.43522562 
        -20.43704123 
        -20.43583082 
   
  
  
      13.83   13.84
      13.83   13.84
   
        -23.83057929 
        -23.83638065 
        -23.83251307 
   
  
  
      15.08   15.08
      15.15   15.16
   
        -23.93087032 
        -23.93666860 
        -23.93280308 
   
  
  
      11.37   11.38
      11.71   11.71
   
         18.57071340 
         18.56491065 
         18.56877915 
   
  
  
      12.35   12.35
      12.67   12.68
   
        -30.80321255 
        -30.80901097 
        -30.80514536 
   
  
  
      12.26   12.27
      12.60   12.61
   
        -41.16823263 
        -41.17403077 
        -41.17016535 
   
  
  
      12.47   12.48
      12.80   12.80
   
        -52.79832918 
        -52.80431222 
        -52.80032352 
   
  
  
      13.81   13.82
      14.16   14.16
   
        -55.52930486 
        -55.53849440 
        -55.53236804 
   
  
  
      12.74   12.74
      13.08   13.08
   
        -55.31174049 
        -55.32499880 
        -55.31615993 
   
  
  
      12.82   12.83
      13.16   13.17
   
        -55.17508494 
        -55.18726149 
        -55.17914379 
   
  
  
      11.26   11.27
      11.66   11.67
   
        -54.88872015 
        -54.89461914 
        -54.89068648 
   
  
  
      12.58   12.59
      12.92   12.93
   
        -55.63183841 
        -55.63856885 
        -55.63408189 
   
  
  
      12.20   12.21
      12.55   12.55
   
        -55.69478978 
        -55.70613051 
        -55.69857002 
   
  
  
      12.77   12.78
      13.13   13.14
   
        -55.51734970 
        -55.52971273 
        -55.52147071 
   
  
  
      11.08   11.08
      11.43   11.43
   
        -54.83697279 
        -54.84277387 
        -54.83890648 
   
  
  
      11.83   11.84
      12.17   12.18
   
        -55.27718982 
        -55.28540486 
        -55.27992816 
   
  
  
      11.44   11.44
      11.79   11.80
   
        -54.87569370 
        -54.88158028 
        -54.87765589 
   
  
  
      13.07   13.07
      13.43   13.43
   
        -54.72596226 
        -54.73186000 
        -54.72792817 
   
  
  
      11.70   11.70
      12.06   12.06
   
        -54.46573474 
        -54.47154373 
        -54.46767107 
   
  
  
      14.75   14.76
      15.13   15.14
   
      -2040.45821217 
      -2040.46809156 
      -2040.46150530 
   
  
  
      10.77   10.78
      11.12   11.12
   
        -43.94838130 
        -43.95478212 
        -43.95051491 
   
  
  
      10.48   10.49
      10.83   10.83
   
        -51.74794282 
        -51.75579818 
        -51.75056128 
   
  
  
      10.55   10.55
      10.91   10.91
   
        -54.90631375 
        -54.91215183 
        -54.90825978 
   
  
  
      10.89   10.90
      11.25   11.25
   
        -54.95276050 
        -54.95857941 
        -54.95470014 
   
  
  
      10.53   10.54
      10.89   10.89
   
        -54.72138468 
        -54.72723438 
        -54.72333458 
   
  
  
       8.45    8.46
       8.80    8.81
   
        -54.42471776 
        -54.43052150 
        -54.42665234 
   
  
  
       8.03    8.03
       8.38    8.38
   
        -54.34839757 
        -54.35420056 
        -54.35033190 
   
  
  
       2.18    2.29
       2.58    2.69
   
        -54.34699530 
        -54.35279828 
        -54.34892963 
   
  
  
       2.37    2.37
       2.72    2.72
   
        -54.34923669 
        -54.35503985 
        -54.35117108 
   
  
  
       2.32    2.33
       2.67    2.68
   
        -54.34771895 
        -54.35352191 
        -54.34965327 
   
  
  
       1.97    1.97
       2.32    2.32
   
        -54.33126694 
        -54.33706741 
        -54.33320043 
   
  
  
       2.02    2.02
       2.37    2.38
   
        -54.41351846 
        -54.41932116 
        -54.41545269 
   
  
  
       1.94    1.94
       2.30    2.30
   
        -54.54100889 
        -54.54682285 
        -54.54294688 
   
  
  
       1.86    1.86
       2.22    2.22
   
        -54.49910275 
        -54.50490314 
        -54.50103621 
   
  
  
       2.17    2.17
       2.53    2.53
   
        -54.45997605 
        -54.46577608 
        -54.46190940 
   
  
  
       2.37    2.38
       2.73    2.74
   
        -54.43930791 
        -54.44510769 
        -54.44124117 
   
  
  
       2.37    2.38
       2.73    2.75
   
        -54.45733499 
        -54.46313506 
        -54.45926835 
   
  
  
       2.11    2.12
       2.48    2.49
   
        -54.42644733 
        -54.43224710 
        -54.42838059 
   
  
  
       2.05    2.05
       2.42    2.42
   
        -54.42856720 
        -54.43436696 
        -54.43050045 
   
  
  
       1.95    1.95
       2.32    2.33
   
        -54.40811962 
        -54.41391934 
        -54.41005286 
   
  
  
       2.24    2.24
       2.61    2.62
   
        -54.43574247 
        -54.44154231 
        -54.43767575 
   
  
  
       2.07    2.08
       2.45    2.45
   
        -54.63609078 
        -54.64189157 
        -54.63802438 
   
  
  
       2.04    2.04
       2.43    2.43
   
        -55.00983397 
        -55.01564487 
        -55.01177094 
   
  
  
       2.07    2.07
       2.45    2.45
   
        -55.21194000 
        -55.21777564 
        -55.21388521 
   
  
  
       2.06    2.07
       2.45    2.45
   
        -55.30432384 
        -55.31020002 
        -55.30628257 
   
  
  
       2.23    2.23
       2.62    2.62
   
        -55.37362931 
        -55.37958991 
        -55.37561618 
   
  
  
       2.09    2.10
       2.48    2.49
   
        -55.43114036 
        -55.43724105 
        -55.43317392 
   
  
  
       2.06    2.07
       2.45    2.46
   
        -55.49779536 
        -55.50417879 
        -55.49992317 
   
  
  
       1.91    1.91
       2.29    2.30
   
        -55.56013558 
        -55.56695602 
        -55.56240906 
   
  
  
       1.99    2.00
       2.37    2.38
   
        -55.55089096 
        -55.55760717 
        -55.55312970 
   
  
  
       1.98    1.98
       2.37    2.37
   
        -55.48586426 
        -55.49233014 
        -55.48801955 
   
  
  
       1.88    1.88
       2.27    2.27
   
        -55.47998770 
        -55.48648101 
        -55.48215214 
   
  
  
       1.98    1.99
       2.38    2.38
   
        -55.55326876 
        -55.56017851 
        -55.55557201 
   
  
  
       1.94    1.94
       2.32    2.33
   
        -55.59857956 
        -55.60587203 
        -55.60101038