vasp 
  6.3.2  
  27Jun22 (build Jan 12 2023 12:08:26) complex                          parallel 
  Lin64 
  2023 09 19 
  20:44:16 
 
 
  H2CO3 between SnO + SnR (sym)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.41000000      0.73000000      0.77000000      0.32000000
   F  
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
            9.47454000       0.00000000       0.00000000 
            0.00000000       4.73727000       0.00000000 
            0.00000000       0.00000000      18.37276000 
    
        824.63293026 
    
            0.10554602       0.00000000       0.00000000 
            0.00000000       0.21109204       0.00000000 
            0.00000000       0.00000000       0.05442840 
    
   
   
           0.07647648       0.64359262       0.70916168 
           0.93390973       0.38365052       0.85328458 
           0.27158478       0.98912372       0.83644780 
           0.77177097       0.91977125       0.16889878 
           0.10152571       0.29000570       0.15512503 
           0.95820842       0.56791946       0.29966294 
           0.43182557       0.49526988       0.69260899 
           0.59089489       0.55458867       0.84992321 
           0.75203260       0.05074910       0.71902182 
           0.26947692       0.99109645       0.30524865 
           0.41896208       0.67888602       0.14914962 
           0.61087507       0.39520520       0.30087040 
           0.06494882       0.72389826       0.81972451 
           0.90127873       0.81957892       0.66531653 
           0.78070851       0.62722183       0.90188064 
           0.12020540       0.21227263       0.89135785 
           0.22110905       0.37997013       0.66514010 
           0.94271163       0.30482037       0.74264338 
           0.10967430       0.25241167       0.26676822 
           0.92838645       0.11277407       0.11101973 
           0.81247072       0.30925786       0.34693035 
           0.97024334       0.63107908       0.18897638 
           0.12575877       0.75647130       0.34836761 
           0.27956087       0.99137413       0.18115960 
           0.61275714       0.70942004       0.74742460 
           0.27732306       0.85589532       0.73114637 
           0.43333431       0.81086234       0.89304227 
           0.72768455       0.17754173       0.82632234 
           0.59439505       0.21206061       0.65976557 
           0.41675987       0.32832286       0.80041709 
           0.64363099       0.25129127       0.19913243 
           0.26162511       0.47506289       0.09870179 
           0.44739978       0.14094888       0.34305877 
           0.43049159       0.62544294       0.25861650 
           0.75609411       0.76966713       0.27391125 
           0.60657447       0.76689639       0.10692483 
           0.90456923       0.37627891       0.47276970 
           0.76102830       0.39597559       0.58555926 
           0.64713419       0.29666752       0.45968889 
           0.23614686       0.13282802       0.41282323 
           0.36775133       0.28132485       0.44338799 
           0.09936938       0.22080870       0.43483137 
           0.77524401       0.35692297       0.50491829 
           0.46348181       0.17369127       0.42159412 
           0.36873127       0.25762817       0.50277457 
           0.36859430       0.49652132       0.42903876 
           0.24443048       0.92481387       0.44215511 
           0.08237325       0.43099597       0.42062631 
           0.09239332       0.19207336       0.49447933 
           0.02225486       0.08234753       0.40838641 
           0.66976392       0.51427713       0.59663605 
           0.55774905       0.29122762       0.49343705 
   
  
  
           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 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
  
 
 
  
          2        3        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.50000000       0.33333333       0.00000000 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   H2CO3 between SnO + SnR (sym)
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      214
       -1
       -1
       355.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000
      -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      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
           0.00000001
           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
   
  
  
       48
       24
       90
       96
       48
      180
    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
         1.41000000      0.73000000      0.77000000      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       118.71000000     16.00000000     12.01100000      1.00000000
         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  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         9.51499535
         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  
    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
        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  
  
 
 
        52 
         4 
  
   ion
   element
   atomtype
   
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      12Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
      27O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           9.47454000       0.00000000       0.00000000 
           0.00000000       4.73727000       0.00000000 
           0.00000000       0.00000000      18.37276000 
   
       824.63293026 
   
           0.10554602       0.00000000       0.00000000 
           0.00000000       0.21109204       0.00000000 
           0.00000000       0.00000000       0.05442840 
   
  
  
          0.07647648       0.64359262       0.70916168 
          0.93390973       0.38365052       0.85328458 
          0.27158478       0.98912372       0.83644780 
          0.77177097       0.91977125       0.16889878 
          0.10152571       0.29000570       0.15512503 
          0.95820842       0.56791946       0.29966294 
          0.43182557       0.49526988       0.69260899 
          0.59089489       0.55458867       0.84992321 
          0.75203260       0.05074910       0.71902182 
          0.26947692       0.99109645       0.30524865 
          0.41896208       0.67888602       0.14914962 
          0.61087507       0.39520520       0.30087040 
          0.06494882       0.72389826       0.81972451 
          0.90127873       0.81957892       0.66531653 
          0.78070851       0.62722183       0.90188064 
          0.12020540       0.21227263       0.89135785 
          0.22110905       0.37997013       0.66514010 
          0.94271163       0.30482037       0.74264338 
          0.10967430       0.25241167       0.26676822 
          0.92838645       0.11277407       0.11101973 
          0.81247072       0.30925786       0.34693035 
          0.97024334       0.63107908       0.18897638 
          0.12575877       0.75647130       0.34836761 
          0.27956087       0.99137413       0.18115960 
          0.61275714       0.70942004       0.74742460 
          0.27732306       0.85589532       0.73114637 
          0.43333431       0.81086234       0.89304227 
          0.72768455       0.17754173       0.82632234 
          0.59439505       0.21206061       0.65976557 
          0.41675987       0.32832286       0.80041709 
          0.64363099       0.25129127       0.19913243 
          0.26162511       0.47506289       0.09870179 
          0.44739978       0.14094888       0.34305877 
          0.43049159       0.62544294       0.25861650 
          0.75609411       0.76966713       0.27391125 
          0.60657447       0.76689639       0.10692483 
          0.90456923       0.37627891       0.47276970 
          0.76102830       0.39597559       0.58555926 
          0.64713419       0.29666752       0.45968889 
          0.23614686       0.13282802       0.41282323 
          0.36775133       0.28132485       0.44338799 
          0.09936938       0.22080870       0.43483137 
          0.77524401       0.35692297       0.50491829 
          0.46348181       0.17369127       0.42159412 
          0.36873127       0.25762817       0.50277457 
          0.36859430       0.49652132       0.42903876 
          0.24443048       0.92481387       0.44215511 
          0.08237325       0.43099597       0.42062631 
          0.09239332       0.19207336       0.49447933 
          0.02225486       0.08234753       0.40838641 
          0.66976392       0.51427713       0.59663605 
          0.55774905       0.29122762       0.49343705 
  
 
 
  
      23.18   23.18
      23.35   23.36
   
        727.21381233 
     -14345.73868214 
     -18854.47187965 
       1503.36075137 
      28636.71478335 
     -29134.40892445 
         -0.02240644 
       1986.48204491 
      35089.17648374 
       5608.30598303 
       5608.32838947 
       5608.31345184 
   
  
  
      25.15   25.15
      25.15   25.15
   
        828.80350492 
        828.82021841 
        828.80907609 
   
  
  
      24.74   24.74
      24.74   24.74
   
       -226.90005494 
       -226.87639233 
       -226.89216740 
   
  
  
      26.98   26.98
      26.98   26.98
   
       -336.23429228 
       -336.20619373 
       -336.22492610 
   
  
  
      26.32   26.32
      26.83   26.83
   
       -340.09939217 
       -340.06966971 
       -340.08948468 
   
  
  
      32.77   32.77
      33.47   33.47
   
       -289.70899745 
       -289.70913742 
       -289.70904410 
   
  
  
      27.97   27.97
      28.68   28.68
   
       -289.69047429 
       -289.66165121 
       -289.68086660 
   
  
  
      28.32   28.32
      29.02   29.03
   
       -288.96909981 
       -288.95676299 
       -288.96498754 
   
  
  
      30.64   30.64
      31.35   31.35
   
       -289.15562342 
       -289.14211859 
       -289.15112181 
   
  
  
      29.51   29.51
      30.22   30.22
   
       -288.74115414 
       -288.72563783 
       -288.73598203 
   
  
  
      29.39   29.40
      30.10   30.10
   
       -288.58544900 
       -288.58012073 
       -288.58367291 
   
  
  
      30.17   30.17
      30.87   30.87
   
       -288.55811123 
       -288.54761407 
       -288.55461218 
   
  
  
      29.67   29.67
      30.37   30.37
   
       -288.55703669 
       -288.55478766 
       -288.55628702 
   
  
  
      29.67   29.67
      30.37   30.38
   
       -288.55728707 
       -288.54771279 
       -288.55409565 
   
  
  
      28.09   28.09
      28.80   28.80
   
       -288.55759526 
       -288.54970012 
       -288.55496355 
   
  
  
      26.59   26.59
      27.31   27.31
   
       -288.55688602 
       -288.54895390 
       -288.55424198 
   
  
  
      26.17   26.17
      26.87   26.88
   
       -288.55703459 
       -288.54787636 
       -288.55398185 
   
  
  
      28.71   28.71
      29.40   29.40
   
       -288.55710495 
       -288.54949315 
       -288.55456768 
   
  
  
      25.86   25.86
      26.55   26.55
   
       -288.55705382 
       -288.54877499 
       -288.55429421 
   
  
  
      24.39   24.39
      25.09   25.09
   
       -288.55704856 
       -288.54904758 
       -288.55438156