vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:11:32 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.89869723       0.48952130       0.11099443 
           0.74382588       0.13792380       0.36938046 
           0.00366346       0.54256133       0.21160963 
           0.97962023       0.16140638       0.18441619 
           0.91353260       0.37240738       0.33238175 
           0.93569972       0.44127289       0.39083980 
           0.37636251       0.40594384       0.30445355 
           0.54570013       0.52052519       0.63489290 
           0.37528006       0.24343040       0.88460359 
           0.96456782       0.77365273       0.83115388 
           0.66108871       0.68388178       0.42911172 
           0.31901057       0.25651836       0.68893307 
           0.61840696       0.28724231       0.50207367 
           0.77199241       0.42448967       0.83347474 
           0.06480116       0.42006791       0.52992934 
           0.07595287       0.40794797       0.51211508 
           0.28650587       0.49366558       0.11074746 
           0.12855204       0.21878344       0.47896376 
           0.55021887       0.53630702       0.12037454 
           0.39439928       0.30767731       0.40574446 
           0.48651233       0.32885232       0.03572468 
           0.40052768       0.01932700       0.13233148 
           0.49256870       0.40930166       0.34279755 
           0.34876059       0.51273174       0.57761847 
           0.46356706       0.26745718       0.42575149 
           0.50157852       0.20278535       0.86471468 
           0.29243211       0.99245655       0.26628471 
           0.52085911       0.41978923       0.73803873 
           0.25805127       0.46308717       0.49851046 
           0.18773417       0.38910024       0.91357484 
           0.30605726       0.62329813       0.64326673 
           0.41092531       0.55299748       0.52216582 
           0.39909326       0.36151987       0.55863933 
           0.91181557       0.27379514       0.40291012 
           0.36135672       0.38388950       0.06276796 
           0.97295084       0.42110310       0.38224710 
           0.81117384       0.97848782       0.72724903 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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
         1.11000000      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      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
        26.48045847
         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
      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  
  
 
 
        37 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.89869723       0.48952130       0.11099443 
          0.74382588       0.13792380       0.36938046 
          0.00366346       0.54256133       0.21160963 
          0.97962023       0.16140638       0.18441619 
          0.91353260       0.37240738       0.33238175 
          0.93569972       0.44127289       0.39083980 
          0.37636251       0.40594384       0.30445355 
          0.54570013       0.52052519       0.63489290 
          0.37528006       0.24343040       0.88460359 
          0.96456782       0.77365273       0.83115388 
          0.66108871       0.68388178       0.42911172 
          0.31901057       0.25651836       0.68893307 
          0.61840696       0.28724231       0.50207367 
          0.77199241       0.42448967       0.83347474 
          0.06480116       0.42006791       0.52992934 
          0.07595287       0.40794797       0.51211508 
          0.28650587       0.49366558       0.11074746 
          0.12855204       0.21878344       0.47896376 
          0.55021887       0.53630702       0.12037454 
          0.39439928       0.30767731       0.40574446 
          0.48651233       0.32885232       0.03572468 
          0.40052768       0.01932700       0.13233148 
          0.49256870       0.40930166       0.34279755 
          0.34876059       0.51273174       0.57761847 
          0.46356706       0.26745718       0.42575149 
          0.50157852       0.20278535       0.86471468 
          0.29243211       0.99245655       0.26628471 
          0.52085911       0.41978923       0.73803873 
          0.25805127       0.46308717       0.49851046 
          0.18773417       0.38910024       0.91357484 
          0.30605726       0.62329813       0.64326673 
          0.41092531       0.55299748       0.52216582 
          0.39909326       0.36151987       0.55863933 
          0.91181557       0.27379514       0.40291012 
          0.36135672       0.38388950       0.06276796 
          0.97295084       0.42110310       0.38224710 
          0.81117384       0.97848782       0.72724903 
  
 
 
  
       6.13    6.19
       6.76    6.82
   
         24.95083145 
       5596.01212093 
      -7622.48113964 
       -290.08167409 
       2937.01645563 
      -2374.63634374 
          0.02374079 
       -214.46943000 
       3495.14563384 
       1551.48019517 
       1551.45645437 
       1551.47228157 
   
  
  
       7.90    7.90
       7.90    7.90
   
        765.87432192 
        765.88254306 
        765.87706230 
   
  
  
       9.99    9.99
       9.99    9.99
   
        575.63776605 
        575.61988714 
        575.63180641 
   
  
  
       8.29    8.29
       8.29    8.29
   
        555.31510595 
        555.29626273 
        555.30882488 
   
  
  
       8.25    8.25
       8.35    8.35
   
        554.22140618 
        554.20167620 
        554.21482952 
   
  
  
       8.64    8.65
       9.39    9.39
   
        609.02928375 
        609.02559103 
        609.02805284 
   
  
  
       7.94    7.94
       8.69    8.69
   
        653.63564137 
        653.68443203 
        653.65190492 
   
  
  
       7.93    7.93
       8.67    8.67
   
        673.85819163 
        673.84899935 
        673.85512754 
   
  
  
       7.65    7.65
       8.38    8.38
   
        667.66690194 
        667.66356113 
        667.66578834 
   
  
  
       6.87    6.87
       7.60    7.60
   
        670.93849018 
        670.88598161 
        670.92098732 
   
  
  
       6.69    6.69
       7.42    7.42
   
        661.86542692 
        661.89737968 
        661.87607784 
   
  
  
       8.12    8.12
       8.86    8.86
   
        657.74040998 
        657.70945062 
        657.73009019 
   
  
  
       6.78    6.78
       7.51    7.51
   
        638.52792028 
        638.50682058 
        638.52088705 
   
  
  
       7.47    7.47
       8.21    8.21
   
        639.70348833 
        639.70858979 
        639.70518882 
   
  
  
       7.39    7.39
       8.14    8.14
   
        634.67809957 
        634.68238354 
        634.67952756 
   
  
  
       7.14    7.14
       7.87    7.87
   
        634.32243989 
        634.31855711 
        634.32114563 
   
  
  
       6.92    6.92
       7.65    7.65
   
        646.99542322 
        646.99662313 
        646.99582319 
   
  
  
       7.60    7.61
       8.35    8.35
   
        654.92410633 
        654.92367412 
        654.92396226 
   
  
  
       4.25    4.25
       4.99    4.99
   
        672.47469490 
        672.45739392 
        672.46892790 
   
  
  
       5.17    5.17
       5.90    5.90
   
        668.88364680 
        668.85759202 
        668.87496188 
   
  
  
       5.15    5.15
       5.89    5.89
   
        676.26938162 
        676.26053766 
        676.26643363 
   
  
  
       5.18    5.18
       5.93    5.93
   
        675.88424802 
        675.90043777 
        675.88964460 
   
  
  
       5.41    5.41
       6.16    6.16
   
        676.71422815 
        676.71886680 
        676.71577437 
   
  
  
       5.06    5.06
       5.81    5.81
   
        676.05044893 
        676.05609292 
        676.05233026 
   
  
  
       5.80    5.80
       6.56    6.56
   
        675.73035822 
        675.73694968 
        675.73255538 
   
  
  
       4.55    4.55
       5.30    5.30
   
        680.14397053 
        680.17292818 
        680.15362308 
   
  
  
       5.17    5.17
       5.93    5.93
   
        680.50428809 
        680.52675695 
        680.51177771 
   
  
  
       4.30    4.30
       5.06    5.06
   
        681.68012149 
        681.68565994 
        681.68196764 
   
  
  
       5.02    5.02
       5.79    5.79
   
        682.46510124 
        682.47497373 
        682.46839207 
   
  
  
       4.65    4.65
       5.42    5.42
   
        686.04073797 
        686.03531783 
        686.03893126 
   
  
  
       5.33    5.33
       6.10    6.10
   
        686.33896780 
        686.33712669 
        686.33835410 
   
  
  
       5.17    5.17
       5.95    5.95
   
        685.99977664 
        685.99858895 
        685.99938074 
   
  
  
       4.48    4.48
       5.27    5.27
   
        686.06130700 
        686.05738192 
        686.05999864 
   
  
  
       4.37    4.37
       5.15    5.15
   
        689.83792285 
        689.85480333 
        689.84354968 
   
  
  
       5.39    5.39
       6.19    6.19
   
        689.34200396 
        689.34917191 
        689.34439328 
   
  
  
       5.72    5.72
       6.52    6.52
   
        689.18639067 
        689.19121923 
        689.18800019 
   
  
  
       5.08    5.08
       5.89    5.89
   
        689.18583046 
        689.18683163 
        689.18616418 
   
  
  
       3.37    3.37
       4.18    4.18
   
        688.53131162 
        688.54219928 
        688.53494084 
   
  
  
       3.50    3.50
       4.30    4.30
   
        687.20307865 
        687.21532148 
        687.20715959 
   
  
  
       5.44    5.44
       6.25    6.25
   
        687.17717640 
        687.19240647 
        687.18225309 
   
  
  
       5.06    5.06
       5.86    5.86
   
        686.75996989 
        686.78271722 
        686.76755233 
   
  
  
       4.72    4.72
       5.52    5.52
   
        687.03731223 
        687.06007233 
        687.04489893