vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:28:20) complex                          parallel 
  Lin64 
  2025 12 03 
  21:34:40 
 
 
  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 
    
   
   
           0.38510584       0.42781095       0.53569174 
           0.44087853       0.55251758       0.41068386 
           0.57923928       0.52707406       0.33453800 
           0.34958559       0.58539527       0.28602188 
           0.26244333       0.48160483       0.58521619 
           0.36893056       0.26719610       0.47828419 
           0.61570734       0.67351388       0.25951763 
           0.67075521       0.49087400       0.45470358 
           0.58763678       0.40545766       0.21515271 
           0.46641648       0.42046724       0.67147570 
           0.46129001       0.75031672       0.54127175 
           0.46040120       0.93584608       0.54528445 
   
  
  
           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 
   
  
  
          0.38510584       0.42781095       0.53569174 
          0.44087853       0.55251758       0.41068386 
          0.57923928       0.52707406       0.33453800 
          0.34958559       0.58539527       0.28602188 
          0.26244333       0.48160483       0.58521619 
          0.36893056       0.26719610       0.47828419 
          0.61570734       0.67351388       0.25951763 
          0.67075521       0.49087400       0.45470358 
          0.58763678       0.40545766       0.21515271 
          0.46641648       0.42046724       0.67147570 
          0.46129001       0.75031672       0.54127175 
          0.46040120       0.93584608       0.54528445 
  
 
 
  
      12.13   12.28
      12.41   12.55
   
         23.83307581 
       1526.78159680 
      -5895.79268743 
        330.34474797 
       4080.95378129 
      -4117.40366957 
          0.00165855 
       -377.61378738 
       5082.48689363 
        653.59160967 
        653.58995112 
        653.59105682 
   
  
  
      15.31   15.31
      15.31   15.31
   
         88.63967830 
         88.64386463 
         88.64107375 
   
  
  
      12.70   12.70
      12.70   12.70
   
        -20.13351746 
        -20.14061047 
        -20.13588180 
   
  
  
      13.81   13.82
      13.81   13.82
   
        -23.58235854 
        -23.58816050 
        -23.58429252 
   
  
  
      15.10   15.11
      15.18   15.19
   
        -23.68685766 
        -23.69265736 
        -23.68879090 
   
  
  
      11.62   11.63
      11.97   11.97
   
         18.69067605 
         18.68485478 
         18.68873562 
   
  
  
      12.04   12.04
      12.40   12.41
   
        -30.32114900 
        -30.32697650 
        -30.32309150 
   
  
  
      11.96   11.97
      12.32   12.32
   
        -41.76322942 
        -41.76902759 
        -41.76516215 
   
  
  
      12.58   12.59
      12.92   12.92
   
        -53.16291222 
        -53.16871413 
        -53.16484619 
   
  
  
      13.56   13.56
      13.91   13.91
   
        -55.78246834 
        -55.79544991 
        -55.78679553 
   
  
  
      12.20   12.20
      12.55   12.56
   
        -55.01309974 
        -55.01902578 
        -55.01507509 
   
  
  
      12.40   12.41
      12.77   12.78
   
        -55.68736057 
        -55.69399988 
        -55.68957367 
   
  
  
      12.83   12.84
      13.16   13.17
   
        -55.92154527 
        -55.93317695 
        -55.92542249 
   
  
  
      11.20   11.21
      11.56   11.56
   
        -54.28129245 
        -54.28718358 
        -54.28325616 
   
  
  
      15.18   15.19
      15.54   15.55
   
       -144.92813483 
       -144.89509251 
       -144.91712072 
   
  
  
      13.23   13.23
      13.58   13.59
   
       -414.47442847 
       -414.45953853 
       -414.46946516 
   
  
  
      12.69   12.69
      13.04   13.04
   
       -384.77516549 
       -384.78898830 
       -384.77977309 
   
  
  
      13.85   13.86
      14.21   14.22
   
        -53.73429438 
        -53.70688278 
        -53.72515718 
   
  
  
      11.91   11.92
      12.27   12.28
   
        -51.09556888 
        -51.10180376 
        -51.09764718 
   
  
  
      11.29   11.29
      11.65   11.65
   
        -54.94931145 
        -54.95512251 
        -54.95124847 
   
  
  
      12.17   12.18
      12.54   12.54
   
        -55.26191156 
        -55.26771345 
        -55.26384553 
   
  
  
      12.70   12.70
      13.06   13.06
   
        -55.08770047 
        -55.09350264 
        -55.08963453 
   
  
  
      11.38   11.39
      11.73   11.74
   
        -54.73139910 
        -54.73719998 
        -54.73333273 
   
  
  
       8.89    8.95
       9.24    9.30
   
        -54.36118020 
        -54.36697984 
        -54.36311342 
   
  
  
       8.38    8.38
       8.72    8.72
   
        -53.85830869 
        -53.86410758 
        -53.86024166 
   
  
  
       9.30    9.31
       9.64    9.65
   
        -53.36843890 
        -53.37423756 
        -53.37037179 
   
  
  
       9.43    9.44
       9.77    9.78
   
        -52.95117584 
        -52.95697443 
        -52.95310871 
   
  
  
       8.91    8.91
       9.25    9.26
   
        -52.51293338 
        -52.51873192 
        -52.51486623 
   
  
  
       7.71    7.73
       8.06    8.08
   
        -52.09911988 
        -52.10491839 
        -52.10105271 
   
  
  
       2.66    2.76
       3.05    3.15
   
        -51.88285862 
        -51.88865712 
        -51.88479145 
   
  
  
       1.01    1.10
       1.35    1.44
   
        -51.99210388 
        -51.99790239 
        -51.99403672 
   
  
  
       0.95    0.95
       1.29    1.29
   
        -52.49054543 
        -52.49634396 
        -52.49247828 
   
  
  
       0.94    0.94
       1.28    1.28
   
        -54.00875997 
        -54.01455872 
        -54.01069289 
   
  
  
       0.98    0.99
       1.33    1.33
   
        -55.15440308 
        -55.16020263 
        -55.15633626 
   
  
  
       1.10    1.10
       1.44    1.45
   
        -55.18808710 
        -55.19388675 
        -55.19002032 
   
  
  
       0.97    0.98
       1.32    1.32
   
        -55.28218098 
        -55.28798088 
        -55.28411428 
   
  
  
       0.96    0.96
       1.30    1.30
   
        -55.21723215 
        -55.22303193 
        -55.21916541 
   
  
  
       0.97    0.98
       1.32    1.32
   
        -55.24865616 
        -55.25445621 
        -55.25058951 
   
  
  
       0.92    0.93
       1.27    1.28
   
        -55.18948588 
        -55.19528594 
        -55.19141923 
   
  
  
       0.92    0.92
       1.27    1.28
   
        -55.07423285 
        -55.08003275 
        -55.07616615 
   
  
  
       0.95    0.96
       1.31    1.31
   
        -55.01860888 
        -55.02440863 
        -55.02054213 
   
  
  
       0.97    0.98
       1.33    1.33
   
        -54.83785482 
        -54.84365429 
        -54.83978798 
   
  
  
       0.98    0.98
       1.34    1.34
   
        -54.61105750 
        -54.61685669 
        -54.61299057 
   
  
  
       0.99    0.99
       1.35    1.36
   
        -54.45236297 
        -54.45816203 
        -54.45429599 
   
  
  
       1.03    1.03
       1.40    1.41
   
        -54.42343608 
        -54.42923512 
        -54.42536909 
   
  
  
       0.98    0.98
       1.35    1.35
   
        -54.44927626 
        -54.45507531 
        -54.45120928 
   
  
  
       0.96    0.97
       1.34    1.34
   
        -54.46219515 
        -54.46799421 
        -54.46412817 
   
  
  
       0.96    0.96
       1.33    1.33
   
        -54.42765719 
        -54.43345622 
        -54.42959020 
   
  
  
       0.95    0.95
       1.32    1.33
   
        -54.34168043 
        -54.34747940 
        -54.34361342 
   
  
  
       0.97    0.98
       1.35    1.35
   
        -54.34319784 
        -54.34899681 
        -54.34513083 
   
  
  
       0.93    0.94
       1.30    1.31
   
        -54.37072812 
        -54.37652711 
        -54.37266112 
   
  
  
       0.93    0.93
       1.30    1.31
   
        -54.35122714 
        -54.35702612 
        -54.35316013 
   
  
  
       0.85    0.85
       1.22    1.23
   
        -54.34597893 
        -54.35177791 
        -54.34791192 
   
  
  
       0.92    0.92
       1.30    1.30
   
        -54.33618179 
        -54.34198077 
        -54.33811478 
   
  
  
       0.84    0.84
       1.22    1.23
   
        -54.33622231 
        -54.34202128 
        -54.33815530 
   
  
  
       0.94    0.94
       1.30    1.31
   
        -54.65642259 
        -54.66222173 
        -54.65835564 
   
  
  
       0.92    0.92
       1.30    1.30
   
        -54.62582118 
        -54.63162026 
        -54.62775421