vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 22:14:57) gamma-only                       parallel 
  Lin64 
  2025 10 21 
  19:57:49 
 
 
  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 
    
   
   
           0.67268345       0.63057846       0.32602095 
           0.04181753       0.77286780       0.03170858 
           0.34281585       0.91254184       0.42840740 
           0.60054738       0.82609690       0.11838326 
           0.03286479       0.39726418       0.70796554 
           0.99532820       0.56132516       0.06736437 
           0.42873497       0.83163589       0.16516106 
           0.28498476       0.25270476       0.67779229 
           0.69217326       0.46299230       0.70703547 
           0.91670817       0.95903618       0.62622578 
           0.95609328       0.59167447       0.97813274 
           0.56823680       0.38803829       0.31043686 
           0.05914273       0.73902792       0.94844902 
           0.19222160       0.89325502       0.31650391 
           0.88826453       0.39249962       0.42321980 
           0.67725240       0.66901618       0.07838461 
           0.81792240       0.13847781       0.43273733 
           0.13781546       0.50124366       0.26494761 
           0.18328812       0.92135401       0.35615745 
           0.13823622       0.87867464       0.96210201 
           0.01303250       0.58834730       0.41765989 
           0.92115409       0.25916539       0.83454861 
           0.92210615       0.60139033       0.93111650 
           0.20181721       0.55358709       0.02652742 
           0.82161536       0.00944116       0.83101319 
           0.52787464       0.89437385       0.61812542 
           0.16686573       0.50791313       0.29096562 
           0.70072352       0.41757142       0.64443150 
           0.59526116       0.36927172       0.47305635 
           0.04976911       0.09210381       0.21162212 
           0.24503258       0.07457835       0.83818962 
           0.34890697       0.03199429       0.42079087 
           0.64280376       0.91217961       0.78627335 
           0.56110004       0.37538739       0.41950137 
           0.23153179       0.95865786       0.88960666 
           0.78563093       0.37640130       0.27352513 
           0.31419073       0.19395254       0.01553469 
   
  
  
           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 
   
  
  
          0.67268345       0.63057846       0.32602095 
          0.04181753       0.77286780       0.03170858 
          0.34281585       0.91254184       0.42840740 
          0.60054738       0.82609690       0.11838326 
          0.03286479       0.39726418       0.70796554 
          0.99532820       0.56132516       0.06736437 
          0.42873497       0.83163589       0.16516106 
          0.28498476       0.25270476       0.67779229 
          0.69217326       0.46299230       0.70703547 
          0.91670817       0.95903618       0.62622578 
          0.95609328       0.59167447       0.97813274 
          0.56823680       0.38803829       0.31043686 
          0.05914273       0.73902792       0.94844902 
          0.19222160       0.89325502       0.31650391 
          0.88826453       0.39249962       0.42321980 
          0.67725240       0.66901618       0.07838461 
          0.81792240       0.13847781       0.43273733 
          0.13781546       0.50124366       0.26494761 
          0.18328812       0.92135401       0.35615745 
          0.13823622       0.87867464       0.96210201 
          0.01303250       0.58834730       0.41765989 
          0.92115409       0.25916539       0.83454861 
          0.92210615       0.60139033       0.93111650 
          0.20181721       0.55358709       0.02652742 
          0.82161536       0.00944116       0.83101319 
          0.52787464       0.89437385       0.61812542 
          0.16686573       0.50791313       0.29096562 
          0.70072352       0.41757142       0.64443150 
          0.59526116       0.36927172       0.47305635 
          0.04976911       0.09210381       0.21162212 
          0.24503258       0.07457835       0.83818962 
          0.34890697       0.03199429       0.42079087 
          0.64280376       0.91217961       0.78627335 
          0.56110004       0.37538739       0.41950137 
          0.23153179       0.95865786       0.88960666 
          0.78563093       0.37640130       0.27352513 
          0.31419073       0.19395254       0.01553469 
  
 
 
  
       2.87    2.87
       3.55    3.55
   
          7.95829038 
       -860.11239077 
      -2874.34393914 
        259.19523178 
       3386.16459151 
      -3349.57830902 
          0.04078612 
       -384.40732229 
       4479.85424013 
        664.77117870 
        664.73039258 
        664.75758333 
   
  
  
       3.89    3.89
       3.89    3.89
   
        165.10096003 
        165.13548348 
        165.11246784 
   
  
  
       3.79    3.80
       3.79    3.80
   
        -52.71201026 
        -52.57964958 
        -52.66789003 
   
  
  
       3.62    3.62
       3.62    3.62
   
       -101.78003323 
       -101.73032999 
       -101.76346549 
   
  
  
       4.05    4.05
       4.43    4.44
   
       -107.11676800 
       -107.05315853 
       -107.09556484 
   
  
  
       3.93    3.94
       5.64    5.65
   
       -257.49304870 
       -257.49780966 
       -257.49463569 
   
  
  
       3.69    3.69
       5.43    5.44
   
        -91.73769802 
        -91.80058207 
        -91.75865937 
   
  
  
       3.62    3.63
       5.31    5.32
   
        -85.13026648 
        -84.90481303 
        -85.05511533 
   
  
  
       4.01    4.01
       5.72    5.72
   
        -71.45558325 
        -71.39167888 
        -71.43428180 
   
  
  
       4.17    4.17
       5.87    5.88
   
        -65.54460599 
        -65.25054321 
        -65.44658506 
   
  
  
       4.37    4.38
       6.11    6.11
   
        -65.14556565 
        -64.63064262 
        -64.97392464 
   
  
  
       4.30    4.31
       6.07    6.08
   
        -66.43048736 
        -65.97764687 
        -66.27954053 
   
  
  
       4.13    4.14
       6.01    6.02
   
        -68.55810037 
        -68.36885693 
        -68.49501922 
   
  
  
       4.20    4.21
       5.95    5.96
   
        -67.66059044 
        -67.71943967 
        -67.68020685 
   
  
  
       4.13    4.13
       5.88    5.89
   
        -67.70339869 
        -67.66903232 
        -67.69194324 
   
  
  
       3.79    3.79
       5.53    5.54
   
        -65.46875239 
        -65.57391578 
        -65.50380686 
   
  
  
       4.61    4.62
       6.37    6.38
   
        -62.73516696 
        -62.63913775 
        -62.70315722 
   
  
  
       4.19    4.19
       5.93    5.93
   
        -61.93452178 
        -61.64011594 
        -61.83638650 
   
  
  
       4.21    4.21
       5.93    5.94
   
        -62.20882183 
        -61.89824655 
        -62.10529673 
   
  
  
       4.18    4.19
       5.93    5.94
   
        -63.36086097 
        -62.95243459 
        -63.22471884 
   
  
  
       4.23    4.24
       6.00    6.01
   
        -63.01597113 
        -62.75132871 
        -62.92775699 
   
  
  
       4.11    4.12
       5.86    5.87
   
        -62.88265976 
        -62.47387761 
        -62.74639904 
   
  
  
       4.34    4.34
       6.06    6.07
   
        -62.49194922 
        -61.87935464 
        -62.28775103 
   
  
  
       4.61    4.61
       6.35    6.35
   
        -62.51611910 
        -62.00221608 
        -62.34481809 
   
  
  
       4.48    4.49
       6.24    6.25
   
        -62.68133248 
        -62.00669667 
        -62.45645388 
   
  
  
       4.81    4.81
       6.60    6.61
   
        -62.85819480 
        -62.71305864 
        -62.80981608 
   
  
  
       4.11    4.11
       5.86    5.87
   
        -62.15194808 
        -61.63734663 
        -61.98041426 
   
  
  
       4.42    4.43
       6.17    6.18
   
        -61.95264124 
        -61.36096707 
        -61.75541652 
   
  
  
       4.52    4.52
       6.29    6.30
   
        -61.96845935 
        -61.17137442 
        -61.70276437 
   
  
  
       4.68    4.69
       6.44    6.45
   
        -61.87340451 
        -61.06660020 
        -61.60446974 
   
  
  
       4.33    4.33
       6.05    6.06
   
        -62.09345360 
        -61.75521281 
        -61.98070667 
   
  
  
       4.31    4.31
       6.06    6.06
   
        -61.70300473 
        -60.94189084 
        -61.44930010 
   
  
  
       4.50    4.50
       6.30    6.31
   
        -61.68125528 
        -60.72960979 
        -61.36404012 
   
  
  
       4.65    4.66
       6.45    6.46
   
        -61.70046337 
        -60.74858296 
        -61.38316990 
   
  
  
       4.59    4.60
       6.37    6.38
   
        -61.67757507 
        -60.74825136 
        -61.36780050 
   
  
  
       4.53    4.53
       6.33    6.34
   
        -61.61886209 
        -60.69929631 
        -61.31234016 
   
  
  
       4.50    4.51
       6.25    6.26
   
        -61.49744177 
        -60.42487773 
        -61.13992042 
   
  
  
       3.91    3.91
       5.79    5.80
   
        -61.50782832 
        -60.60310198 
        -61.20625287 
   
  
  
       4.13    4.14
       6.06    6.07
   
        -61.69755271 
        -60.38619694 
        -61.26043412 
   
  
  
       4.45    4.46
       6.34    6.35
   
        -61.73358713 
        -60.42083023 
        -61.29600150 
   
  
  
       4.18    4.18
       6.11    6.12
   
        -61.64648787 
        -60.32873815 
        -61.20723796 
   
  
  
       4.75    4.76
       6.71    6.72
   
        -61.64026250 
        -60.39911929 
        -61.22654810 
   
  
  
       4.15    4.15
       6.19    6.20
   
        -61.63486188 
        -60.52246366 
        -61.26406247 
   
  
  
       4.66    4.67
       6.69    6.70
   
        -61.66205486 
        -60.51442430 
        -61.27951134 
   
  
  
       3.53    3.54
       5.33    5.34
   
        -61.66401355 
        -60.52114813 
        -61.28305841 
   
  
  
       3.82    3.83
       5.48    5.49
   
        -61.68756838 
        -60.43445808 
        -61.26986494 
   
  
  
       3.16    3.17
       4.78    4.79
   
        -61.68746336 
        -60.45827847 
        -61.27773506 
   
  
  
       3.72    3.73
       5.50    5.51
   
        -61.69000905 
        -60.50821611 
        -61.29607807 
   
  
  
       2.78    2.78
       4.44    4.45
   
        -61.69524141 
        -60.49798046 
        -61.29615443 
   
  
  
       3.35    3.36
       4.66    4.67
   
        -61.69669136 
        -60.49548846 
        -61.29629039 
   
  
  
       2.75    2.75