vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 22:14:57) gamma-only                       parallel 
  Lin64 
  2025 10 21 
  19:57:50 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.87195185       0.28906672       0.01554923 
           0.52639565       0.56595626       0.71660572 
           0.45774643       0.88451862       0.19574912 
           0.24192016       0.96499382       0.54830188 
           0.59232929       0.20671595       0.64149936 
           0.69053239       0.89806087       0.85049114 
           0.18650896       0.73638412       0.40011496 
           0.44158948       0.27618406       0.50688596 
           0.72787820       0.75922333       0.05081502 
           0.15875370       0.99015629       0.66328254 
           0.03264104       0.04835549       0.63795425 
           0.40568466       0.02452176       0.07438906 
           0.79213277       0.36465535       0.02409034 
           0.53335060       0.33878288       0.85151427 
           0.04240808       0.48894404       0.38209434 
           0.11066111       0.04301575       0.68802648 
           0.93459858       0.42585057       0.54257869 
           0.60955072       0.61241602       0.83326216 
           0.37945281       0.86334488       0.16164805 
           0.33041770       0.07066813       0.83288951 
           0.01972542       0.72971033       0.13129916 
           0.81253443       0.05859101       0.04214363 
           0.00245907       0.05115602       0.30924891 
           0.18239526       0.98055196       0.71965260 
           0.12621226       0.86606982       0.62450334 
           0.68246263       0.94522072       0.81603939 
           0.07885085       0.26410763       0.33250402 
           0.56378556       0.60712774       0.11296109 
           0.40367700       0.36802621       0.80320331 
           0.75957991       0.62338015       0.58122382 
           0.95515141       0.85218685       0.37270017 
           0.38574492       0.93144782       0.20704518 
           0.51589377       0.38465002       0.24095748 
           0.44542880       0.14986504       0.01772202 
           0.47942371       0.30625270       0.55886852 
           0.16804644       0.34994229       0.99631575 
           0.02703992       0.60163977       0.37779397 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       68
       -1
       -1
        99.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      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
     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
           0.00000004
           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
   
  
  
       98
       80
       80
      196
      160
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000      0.77000000
      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  
        28.08500000     16.00000000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        72.97297297
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        37 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      21H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.87195185       0.28906672       0.01554923 
          0.52639565       0.56595626       0.71660572 
          0.45774643       0.88451862       0.19574912 
          0.24192016       0.96499382       0.54830188 
          0.59232929       0.20671595       0.64149936 
          0.69053239       0.89806087       0.85049114 
          0.18650896       0.73638412       0.40011496 
          0.44158948       0.27618406       0.50688596 
          0.72787820       0.75922333       0.05081502 
          0.15875370       0.99015629       0.66328254 
          0.03264104       0.04835549       0.63795425 
          0.40568466       0.02452176       0.07438906 
          0.79213277       0.36465535       0.02409034 
          0.53335060       0.33878288       0.85151427 
          0.04240808       0.48894404       0.38209434 
          0.11066111       0.04301575       0.68802648 
          0.93459858       0.42585057       0.54257869 
          0.60955072       0.61241602       0.83326216 
          0.37945281       0.86334488       0.16164805 
          0.33041770       0.07066813       0.83288951 
          0.01972542       0.72971033       0.13129916 
          0.81253443       0.05859101       0.04214363 
          0.00245907       0.05115602       0.30924891 
          0.18239526       0.98055196       0.71965260 
          0.12621226       0.86606982       0.62450334 
          0.68246263       0.94522072       0.81603939 
          0.07885085       0.26410763       0.33250402 
          0.56378556       0.60712774       0.11296109 
          0.40367700       0.36802621       0.80320331 
          0.75957991       0.62338015       0.58122382 
          0.95515141       0.85218685       0.37270017 
          0.38574492       0.93144782       0.20704518 
          0.51589377       0.38465002       0.24095748 
          0.44542880       0.14986504       0.01772202 
          0.47942371       0.30625270       0.55886852 
          0.16804644       0.34994229       0.99631575 
          0.02703992       0.60163977       0.37779397 
  
 
 
  
       3.30    3.31
       4.77    4.77
   
          7.95829038 
       -275.80002200 
      -3416.75445632 
        262.15258137 
       3386.16459151 
      -3349.57830902 
         -0.09644422 
       -409.45631069 
       4479.85424013 
        684.44416113 
        684.54060535 
        684.47630921 
   
  
  
       4.11    4.12
       4.11    4.12
   
        161.61680361 
        161.60545808 
        161.61302177 
   
  
  
       3.68    3.69
       3.68    3.69
   
        -56.66902654 
        -56.60696843 
        -56.64834050 
   
  
  
       3.82    3.83
       3.82    3.83
   
       -103.56390115 
       -103.32050336 
       -103.48276856 
   
  
  
       3.78    3.79
       4.20    4.21
   
       -107.63521675 
       -107.35242718 
       -107.54095356 
   
  
  
       3.74    3.74
       5.43    5.44
   
       -220.90828893 
       -220.86560178 
       -220.89405988 
   
  
  
       3.59    3.60
       5.32    5.33
   
        -75.84190290 
        -75.95440747 
        -75.87940442 
   
  
  
       3.75    3.75
       5.47    5.48
   
        -74.05260081 
        -74.08193117 
        -74.06237760 
   
  
  
       4.64    4.65
       6.36    6.37
   
        -73.79154239 
        -73.73421413 
        -73.77243297 
   
  
  
       3.77    3.78
       5.50    5.52
   
        -76.60578787 
        -76.56868254 
        -76.59341943 
   
  
  
       4.39    4.40
       6.14    6.16
   
        -72.97777015 
        -72.92340636 
        -72.95964889 
   
  
  
       3.46    3.46
       5.20    5.22
   
        -73.72938515 
        -73.87645683 
        -73.77840904 
   
  
  
       3.82    3.83
       5.60    5.61
   
        -75.75227795 
        -75.54846754 
        -75.68434115 
   
  
  
       4.11    4.12
       5.94    5.95
   
        -70.29562366 
        -69.83686656 
        -70.14270463 
   
  
  
       3.95    3.95
       5.72    5.73
   
        -71.98549273 
        -72.02743717 
        -71.99947421 
   
  
  
       3.90    3.91
       5.63    5.63
   
        -70.64476041 
        -70.65736778 
        -70.64896287 
   
  
  
       3.68    3.68
       5.41    5.42
   
        -68.90743384 
        -68.61522771 
        -68.81003180 
   
  
  
       4.14    4.15
       5.87    5.88
   
        -68.53147710 
        -68.04014134 
        -68.36769852 
   
  
  
       4.28    4.29
       6.04    6.05
   
        -68.82717868 
        -68.37759151 
        -68.67731629 
   
  
  
       3.72    3.73
       5.46    5.48
   
        -69.35328696 
        -68.76106252 
        -69.15587881 
   
  
  
       4.18    4.19
       5.91    5.92
   
        -69.18797799 
        -68.77788310 
        -69.05127969 
   
  
  
       4.12    4.13
       5.87    5.88
   
        -68.96830431 
        -68.05500607 
        -68.66387156 
   
  
  
       3.96    3.97
       5.69    5.71
   
        -70.62336723 
        -70.52118452 
        -70.58930632 
   
  
  
       3.88    3.88
       5.68    5.69
   
        -70.21919622 
        -70.28546072 
        -70.24128439 
   
  
  
       3.70    3.71
       5.44    5.46
   
        -69.04222720 
        -68.65120973 
        -68.91188804 
   
  
  
       4.09    4.10
       5.89    5.90
   
        -68.73472114 
        -68.14418062 
        -68.53787430 
   
  
  
       3.88    3.89
       5.54    5.55
   
        -68.68729055 
        -67.91091069 
        -68.42849726 
   
  
  
       3.92    3.93
       5.71    5.73
   
        -68.62959170 
        -67.96383341 
        -68.40767227 
   
  
  
       4.01    4.02
       5.79    5.81
   
        -68.66764233 
        -68.18894927 
        -68.50807797 
   
  
  
       3.88    3.89
       5.63    5.64
   
        -68.42404895 
        -67.68822249 
        -68.17877347 
   
  
  
       4.05    4.06
       5.81    5.83
   
        -68.37841726 
        -67.58575886 
        -68.11419780 
   
  
  
       3.46    3.47
       5.24    5.26
   
        -68.38986791 
        -67.73479747 
        -68.17151110 
   
  
  
       4.26    4.27
       6.06    6.08
   
        -68.33716295 
        -67.58102485 
        -68.08511692 
   
  
  
       4.26    4.27
       6.05    6.06
   
        -68.35874569 
        -67.43277101 
        -68.05008747 
   
  
  
       4.12    4.13
       5.91    5.92
   
        -68.32780075 
        -67.46938924 
        -68.04166358 
   
  
  
       3.80    3.81
       5.57    5.59
   
        -68.34536639 
        -67.43798802 
        -68.04290693 
   
  
  
       3.86    3.86
       5.61    5.62
   
        -68.33663143 
        -67.36403803 
        -68.01243363 
   
  
  
       3.59    3.60
       5.41    5.43
   
        -68.31865208 
        -67.34692147 
        -67.99474188 
   
  
  
       3.97    3.98
       5.80    5.81
   
        -68.35529802 
        -67.39372894 
        -68.03477500 
   
  
  
       3.28    3.28
       5.19    5.20
   
        -68.37789184 
        -67.38211327 
        -68.04596565 
   
  
  
       3.86    3.87
       5.78    5.79
   
        -68.34151034 
        -67.34148905 
        -68.00816991 
   
  
  
       3.72    3.73
       5.71    5.73
   
        -68.36956018 
        -67.34907296 
        -68.02939778 
   
  
  
       3.70    3.71
       5.71    5.72
   
        -68.39431403 
        -67.37018358 
        -68.05293721 
   
  
  
       4.24    4.25
       6.28    6.29
   
        -68.38718048 
        -67.41705941 
        -68.06380679 
   
  
  
       3.63    3.63
       5.68    5.69
   
        -68.40491065 
        -67.44566077 
        -68.08516069 
   
  
  
       3.90    3.91
       5.83    5.85
   
        -68.42082825 
        -67.43897193 
        -68.09354281 
   
  
  
       3.54    3.55
       5.37    5.39
   
        -68.42372829 
        -67.50111903 
        -68.11619187 
   
  
  
       2.93    2.94
       4.73    4.74
   
        -68.44071125 
        -67.57408780 
        -68.15183677 
   
  
  
       3.33    3.33
       5.09    5.10
   
        -68.43473117 
        -67.53249140 
        -68.13398458 
   
  
  
       2.68    2.68
       4.14    4.14
   
        -68.44542590 
        -67.56769547 
        -68.15284909 
   
  
  
       2.12    2.12
       3.11    3.11
   
        -68.44765469 
        -67.54302145 
        -68.14611028 
   
  
  
       2.21    2.21
       3.24    3.24
   
        -68.45220218 
        -67.53614072 
        -68.14684836 
   
  
  
       2.21    2.21
       3.43    3.44
   
        -68.45601184 
        -67.53615814 
        -68.14939394 
   
  
  
       2.25    2.26
       3.42    3.43
   
        -68.45734674 
        -67.53374345 
        -68.14947898