vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  01:45:39 
 
 
  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 
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            0.00000000       0.00000000       0.12500000 
    
   
   
           0.38478044       0.42734178       0.53461168 
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           0.58093042       0.52467437       0.33109321 
           0.35032171       0.58406567       0.28288843 
           0.26256565       0.48409098       0.58204924 
           0.36906605       0.26418448       0.48304304 
           0.61698954       0.67155607       0.25880570 
           0.67002784       0.48858233       0.45298083 
           0.59115674       0.40310623       0.21081674 
           0.46520399       0.42522361       0.67097825 
           0.46480767       0.80990631       0.55727618 
           0.45131232       0.90188851       0.55567934 
   
  
  
           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 
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          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
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    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 
   
  
  
          0.38478044       0.42734178       0.53461168 
          0.44122779       0.53345403       0.39761902 
          0.58093042       0.52467437       0.33109321 
          0.35032171       0.58406567       0.28288843 
          0.26256565       0.48409098       0.58204924 
          0.36906605       0.26418448       0.48304304 
          0.61698954       0.67155607       0.25880570 
          0.67002784       0.48858233       0.45298083 
          0.59115674       0.40310623       0.21081674 
          0.46520399       0.42522361       0.67097825 
          0.46480767       0.80990631       0.55727618 
          0.45131232       0.90188851       0.55567934 
  
 
 
  
      10.06   10.17
      10.20   10.31
   
         23.83307581 
       1514.93445428 
      -5875.90383715 
        306.48869650 
       4102.18079837 
      -4139.55860478 
          0.00030475 
       -431.37190529 
       5082.48689363 
        583.08987613 
        583.08957138 
        583.08977455 
   
  
  
      12.27   12.28
      12.27   12.28
   
         33.77655331 
         33.77373044 
         33.77561236 
   
  
  
      10.38   10.39
      10.38   10.39
   
        -52.28397927 
        -52.29065526 
        -52.28620460 
   
  
  
      10.79   10.81
      10.79   10.81
   
        -53.71971541 
        -53.72556469 
        -53.72166517 
   
  
  
      11.27   11.27
      11.32   11.32
   
        -53.75749621 
        -53.76335198 
        -53.75944813 
   
  
  
      10.66   10.66
      10.84   10.84
   
       -283.86312435 
       -283.85000615 
       -283.85875162 
   
  
  
      10.26   10.27
      10.43   10.44
   
      -2678.82484225 
      -2678.83803965 
      -2678.82924138 
   
  
  
      10.81   10.81
      10.98   10.99
   
        -64.43203718 
        -64.40810588 
        -64.42406008 
   
  
  
       9.81    9.83
       9.99   10.00
   
        -32.23070332 
        -32.21019870 
        -32.22386845 
   
  
  
       9.88    9.90
      10.06   10.08
   
        -47.91456009 
        -47.92566596 
        -47.91826205 
   
  
  
       9.53    9.54
       9.71    9.72
   
        -56.27245994 
        -56.27833398 
        -56.27441795 
   
  
  
       8.87    8.89
       9.04    9.06
   
        -56.81850588 
        -56.82436651 
        -56.82045943 
   
  
  
      10.67   10.68
      10.84   10.85
   
      -1499.32369844 
      -1499.33267208 
      -1499.32668965 
   
  
  
       7.91    7.93
       8.11    8.13
   
        -42.59101499 
        -42.57521775 
        -42.58574924 
   
  
  
       8.50    8.51
       8.67    8.68
   
        -56.51876754 
        -56.52464143 
        -56.52072550 
   
  
  
       8.80    8.81
       8.97    8.98
   
        -60.84589108 
        -60.85174227 
        -60.84784148 
   
  
  
       7.61    7.63
       7.78    7.80
   
        -95.27900079 
        -95.24856813 
        -95.26885657 
   
  
  
       8.53    8.55
       8.70    8.72
   
        -60.59910368 
        -60.60496388 
        -60.60105708 
   
  
  
       8.69    8.70
       8.88    8.89
   
        -61.30356539 
        -61.30942199 
        -61.30551759 
   
  
  
      10.10   10.12
      10.28   10.30
   
      -1200.52193208 
      -1200.51554544 
      -1200.51980320 
   
  
  
       7.93    7.97
       8.11    8.15
   
       -745.51158185 
       -745.48078111 
       -745.50131493 
   
  
  
       6.08    6.18
       6.27    6.36
   
      -2545.78791573 
      -2545.76181572 
      -2545.77921573 
   
  
  
       2.11    2.19
       2.27    2.35
   
      -1195.22102585 
      -1195.17911569 
      -1195.20705579 
   
  
  
       2.00    2.02
       2.16    2.18
   
        -47.27182182 
        -47.27805377 
        -47.27389914 
   
  
  
       0.79    0.89
       0.95    1.05
   
        -57.30033417 
        -57.30617355 
        -57.30228063 
   
  
  
       0.91    0.91
       1.06    1.07
   
      -3537.38227989 
      -3537.38479672 
      -3537.38311883 
   
  
  
       0.74    0.74
       0.89    0.89
   
        -50.52214773 
        -50.52812363 
        -50.52413970 
   
  
  
       0.73    0.74
       0.89    0.89
   
        -59.05265329 
        -59.05849466 
        -59.05460041 
   
  
  
       0.71    0.72
       0.87    0.87
   
        -60.40507097 
        -60.41092035 
        -60.40702077 
   
  
  
       0.75    0.76
       0.91    0.91
   
        -59.10264512 
        -59.10849599 
        -59.10459541 
   
  
  
       0.79    0.79
       0.94    0.95
   
        -60.23065356 
        -60.23650497 
        -60.23260403 
   
  
  
       0.75    0.75
       0.91    0.91
   
        -60.21033859 
        -60.21619163 
        -60.21228961 
   
  
  
       0.76    0.77
       0.92    0.93
   
        -60.57954285 
        -60.58539809 
        -60.58149460 
   
  
  
       0.76    0.76
       0.92    0.92
   
        -60.54670257 
        -60.55255995 
        -60.54865503 
   
  
  
       0.72    0.73
       0.88    0.89
   
        -60.98828343 
        -60.99413869 
        -60.99023518 
   
  
  
       0.83    0.84
       1.00    1.00
   
       -106.59389582 
       -106.56560629 
       -106.58446598 
   
  
  
       0.75    0.75
       0.91    0.91
   
        -59.84011261 
        -59.84594467 
        -59.84205663 
   
  
  
       0.82    0.83
       0.98    0.99
   
    -654123.17726307 
    -654123.15858821 
    -654123.17103812 
   
  
  
       0.74    0.74
       0.90    0.90
   
         60.29024518 
         60.28836215 
         60.28961751 
   
  
  
       0.77    0.77
       0.93    0.94
   
        -47.07511064 
        -47.04914545 
        -47.06645558 
   
  
  
       0.79    0.79
       0.95    0.96
   
        -59.60994300 
        -59.61592612 
        -59.61193737 
   
  
  
       0.78    0.79
       0.95    0.95
   
        -60.49568940 
        -60.50155805 
        -60.49764561 
   
  
  
       0.85    0.86
       1.02    1.02
   
    -120252.31588370 
    -120252.30593166 
    -120252.31256635 
   
  
  
       0.72    0.72
       0.89    0.90
   
         20.50208716 
         20.50143092 
         20.50186842 
   
  
  
       0.85    0.86
       1.02    1.03
   
       -300.83818547 
       -300.84793508 
       -300.84143534 
   
  
  
       0.67    0.68
       0.83    0.85
   
        -53.09011781 
        -53.09668517 
        -53.09230693 
   
  
  
       0.76    0.76
       0.93    0.93
   
        -59.49146195 
        -59.49731919 
        -59.49341437 
   
  
  
       0.74    0.75
       0.91    0.92
   
        -63.79925049 
        -63.80508889 
        -63.80119663 
   
  
  
       0.71    0.72
       0.88    0.89
   
        -61.47723618 
        -61.48308527 
        -61.47918588 
   
  
  
       0.78    0.78
       0.95    0.95
   
        -61.74174469 
        -61.74759588 
        -61.74369508 
   
  
  
       0.72    0.72
       0.88    0.89
   
        -66.07497501 
        -66.08081246 
        -66.07692083 
   
  
  
       0.87    0.87
       1.04    1.04
   
      -7731.03804553 
      -7731.04292487 
      -7731.03967198 
   
  
  
       0.71    0.72
       0.88    0.89
   
        -47.37280860 
        -47.34539325 
        -47.36367015 
   
  
  
       0.82    0.83
       0.99    0.99
   
     -16470.28809726 
     -16470.27506011 
     -16470.28375154 
   
  
  
       0.76    0.76
       0.92    0.93
   
       -168.99911545 
       -168.97203509 
       -168.99008866 
   
  
  
       0.77    0.77
       0.94    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.78    0.79
       0.95    0.96
   
       -113.50023259 
       -113.50139450 
       -113.50061989 
   
  
  
       0.79    0.80
       0.96    0.97
   
        -93.76724189 
        -93.76575833 
        -93.76674737 
   
  
  
       0.82    0.82
       0.99    0.99
   
       -124.65302339 
       -124.66007588 
       -124.65537422 
   
  
  
       0.81    0.81
       0.97    0.98
   
       -146.24223583 
       -146.24665907 
       -146.24371025 
   
  
  
       0.83    0.83
       0.99    1.00
   
       -157.38401524 
       -157.38597305 
       -157.38466784 
   
  
  
       0.87    0.88
       1.04    1.04
   
       -235.71642294 
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       -235.71620438 
   
  
  
       0.86    0.87
       1.03    1.04
   
       -264.36914995 
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       0.84    0.84
       1.01    1.01
   
       -243.86793097 
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       -243.87001046 
   
  
  
       0.82    0.83
       0.99    1.00
   
       -303.92675013 
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       -303.92819698 
   
  
  
       0.80    0.81
       0.97    0.97
   
       -282.67507154 
       -282.67186293 
       -282.67400201 
   
  
  
       0.80    0.80
       0.97    0.97
   
       -242.32998754 
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       0.79    0.80
       0.96    0.97
   
       -237.26001075 
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       0.80    0.81
       0.97    0.97
   
       -278.10417759 
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       0.78    0.79
       0.95    0.95
   
       -555.67966896 
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       -555.67911670 
   
  
  
       0.82    0.83
       0.99    0.99
   
      -1614.85777218 
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       0.79    0.79
       0.95    0.96
   
      -1289.77298295 
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       0.83    0.83
       0.99    1.00
   
       -586.18405545 
       -586.18255164 
       -586.18355418 
   
  
  
       0.82    0.83
       0.99    1.00
   
      -5909.52745004 
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       0.79    0.80
       0.96    0.96
   
      -2651.91870660 
      -2651.89377515 
      -2651.91039612 
   
  
  
       0.81    0.82
       0.98    0.99
   
     -87300.01881644 
     -87299.98461003 
     -87300.00741430 
   
  
  
       0.77    0.78
       0.94    0.95
   
     -10819.56076536 
     -10819.56685574 
     -10819.56279549 
   
  
  
       0.81    0.81
       0.97    0.98
   
      -5320.66313683 
      -5320.62725642 
      -5320.65117669 
   
  
  
       0.82    0.83
       0.99    1.00
   
     -34704.15613193 
     -34704.11433772 
     -34704.14220053 
   
  
  
       0.84    0.84
       1.00    1.01
   
     -40432.31524088 
     -40432.32636277 
     -40432.31894818 
   
  
  
       0.88    0.88
       1.04    1.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.73    0.74
       0.90    0.91
   
         39.29174094 
         39.28069201 
         39.28805796 
   
  
  
       0.72    0.72
       0.89    0.89
   
        -69.51303312 
        -69.51919617 
        -69.51508747