vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 11 12 
  20:03:07 
 
 
  TMOS loss 1st CH3
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     800
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.47620692       0.57383973       0.45048616 
           0.47967884       0.75216613       0.40782884 
           0.56363132       0.54821939       0.61082484 
           0.55855855       0.47767246       0.31477499 
           0.30104505       0.51991197       0.46712541 
           0.40463370       0.77294562       0.28002165 
           0.48886371       0.62011818       0.71989850 
           0.22399096       0.62477026       0.54200566 
           0.36513153       0.87437896       0.27714795 
           0.32231589       0.70164570       0.27434753 
           0.47183570       0.75761047       0.19563368 
           0.41879926       0.55143270       0.76763401 
           0.43382528       0.70395400       0.67705874 
           0.55944294       0.65732980       0.79412898 
           0.29349389       0.69567501       0.58698840 
           0.16470888       0.57747596       0.62027742 
           0.15791552       0.67750648       0.47320531 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
  
 
 
  
          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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   TMOS loss 1st CH3
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
       36
       -1
       -1
        49.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       800
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000007
           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
       50
       50
      100
      100
      100
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     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  
        -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
        35.29411765
         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
      800
        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  
  
 
 
        17 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    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
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.47620692       0.57383973       0.45048616 
          0.47967884       0.75216613       0.40782884 
          0.56363132       0.54821939       0.61082484 
          0.55855855       0.47767246       0.31477499 
          0.30104505       0.51991197       0.46712541 
          0.40463370       0.77294562       0.28002165 
          0.48886371       0.62011818       0.71989850 
          0.22399096       0.62477026       0.54200566 
          0.36513153       0.87437896       0.27714795 
          0.32231589       0.70164570       0.27434753 
          0.47183570       0.75761047       0.19563368 
          0.41879926       0.55143270       0.76763401 
          0.43382528       0.70395400       0.67705874 
          0.55944294       0.65732980       0.79412898 
          0.29349389       0.69567501       0.58698840 
          0.16470888       0.57747596       0.62027742 
          0.15791552       0.67750648       0.47320531 
  
 
 
  
       1.20    1.25
       1.31    1.36
   
          9.04479393 
       1283.80536269 
      -3186.37698282 
        159.76404271 
       1819.09409324 
      -1810.48361156 
         -0.00407567 
       -304.16900181 
       2385.80789597 
        356.48251668 
        356.48659235 
        356.48387524 
   
  
  
       1.53    1.58
       1.53    1.58
   
          1.88566327 
          1.89373722 
          1.88835459 
   
  
  
       1.16    1.22
       1.16    1.22
   
        -94.30984632 
        -94.26287049 
        -94.29418771 
   
  
  
       1.33    1.39
       1.33    1.39
   
        -99.13434773 
        -99.06033164 
        -99.10967570 
   
  
  
       1.41    1.47
       1.44    1.50
   
        -99.27259589 
        -99.19844698 
        -99.24787958 
   
  
  
       1.28    1.34
       1.41    1.48
   
        -92.68823169 
        -92.65065687 
        -92.67570675 
   
  
  
       1.34    1.40
       1.47    1.54
   
        -92.84357605 
        -92.76231632 
        -92.81648947 
   
  
  
       1.19    1.25
       1.32    1.39
   
        -91.40232270 
        -91.32896571 
        -91.37787037 
   
  
  
       1.24    1.32
       1.36    1.45
   
        -90.97091992 
        -90.92511656 
        -90.95565214 
   
  
  
       1.35    1.41
       1.49    1.56
   
        -91.02165519 
        -90.98749511 
        -91.01026850 
   
  
  
       1.52    1.58
       1.66    1.72
   
        -90.96895616 
        -90.89350988 
        -90.94380740 
   
  
  
       1.41    1.47
       1.54    1.61
   
        -90.92347060 
        -90.84905288 
        -90.89866469 
   
  
  
       1.47    1.53
       1.60    1.67
   
        -90.90854409 
        -90.83361783 
        -90.88356867 
   
  
  
       1.38    1.43
       1.51    1.56
   
        -90.87701960 
        -90.81667032 
        -90.85690317 
   
  
  
       1.29    1.35
       1.42    1.49
   
        -90.87581366 
        -90.81529751 
        -90.85564161 
   
  
  
       1.35    1.40
       1.48    1.53
   
        -90.88591201 
        -90.82519415 
        -90.86567272 
   
  
  
       1.26    1.32
       1.39    1.45
   
        -90.88262362 
        -90.82108530 
        -90.86211085 
   
  
  
       1.26    1.31
       1.39    1.45
   
        -90.88510910 
        -90.82302548 
        -90.86441456 
   
  
  
       1.21    1.28
       1.34    1.41
   
        -90.89003160 
        -90.82657261 
        -90.86887860 
   
  
  
       1.19    1.25
       1.32    1.38
   
        -90.89284797 
        -90.83014174 
        -90.87194589 
   
  
  
       1.41    1.47
       1.54    1.60
   
        -90.89417797 
        -90.83203726 
        -90.87346440 
   
  
  
       1.23    1.29
       1.37    1.43
   
        -90.89592069 
        -90.83350132 
        -90.87511424 
   
  
  
       1.25    1.31
       1.39    1.46
   
        -90.89724918 
        -90.83509124 
        -90.87652987 
   
  
  
       1.07    1.14
       1.20    1.28
   
        -90.89762586 
        -90.83558756 
        -90.87694643 
   
  
  
       0.98    1.04
       1.11    1.17
   
        -90.89777945 
        -90.83554526 
        -90.87703472 
   
  
  
       1.02    1.08
       1.15    1.22
   
        -90.89787000 
        -90.83560571 
        -90.87711524 
   
  
  
       1.01    1.08
       1.15    1.22
   
        -90.89789683 
        -90.83567053 
        -90.87715473