vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 07 13 
  00:27:58 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      1.33000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06246820       0.13134662       0.59884948 
          0.18764596       0.12548623       0.40266068 
          0.06264596       0.12548623       0.33686663 
          0.18829927       0.12701885       0.66512303 
          0.06275429       0.00023307       0.53601787 
          0.18764596       0.00048623       0.46769329 
          0.06264596       0.00048623       0.27102382 
          0.12445948       0.00011690       0.70524196 
          0.06069499       0.37706755       0.60579346 
          0.18764596       0.37548623       0.40266068 
          0.06264596       0.37548623       0.33686663 
          0.19303689       0.37103233       0.66581103 
          0.06198576       0.25517620       0.53365715 
          0.18764596       0.25048623       0.46769329 
          0.06264596       0.25048623       0.27102382 
          0.23852576       0.24798474       0.72209567 
          0.06202183       0.62428646       0.60273448 
          0.18764596       0.62548623       0.40266068 
          0.06264596       0.62548623       0.33686663 
          0.19254165       0.62798092       0.66515591 
          0.06303021       0.49966440       0.53599832 
          0.18764596       0.50048623       0.46769329 
          0.06264596       0.50048623       0.27102382 
          0.25849816       0.49965798       0.70005568 
          0.06175345       0.86843714       0.59804952 
          0.18764596       0.87548623       0.40266068 
          0.06264596       0.87548623       0.33686663 
          0.18725200       0.87312046       0.66463664 
          0.06227996       0.74564099       0.53263774 
          0.18764596       0.75048623       0.46769329 
          0.06264596       0.75048623       0.27102382 
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          0.31264596       0.12548623       0.33686663 
          0.43821705       0.12430125       0.66368599 
          0.31263706       0.99935756       0.53023372 
          0.43764596       0.00048623       0.46769329 
          0.31264596       0.00048623       0.27102382 
          0.50280751       0.99748680       0.70331887 
          0.31425200       0.37351477       0.59430173 
          0.43764596       0.37548623       0.40266068 
          0.31264596       0.37548623       0.33686663 
          0.43284158       0.38336065       0.66687913 
          0.31253053       0.24573412       0.53273301 
          0.43764596       0.25048623       0.46769329 
          0.31264596       0.25048623       0.27102382 
          0.38631938       0.25172736       0.71005720 
          0.31585017       0.62797972       0.59406927 
          0.43764596       0.62548623       0.40266068 
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          0.43240556       0.62134378       0.66695089 
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          0.43810092       0.87092120       0.66461684 
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          0.40396026       0.74858828       0.72665551 
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          0.68764596       0.12548623       0.40266068 
          0.56264596       0.12548623       0.33686663 
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          0.68764596       0.00048623       0.46769329 
          0.56264596       0.00048623       0.27102382 
          0.64816566       0.99748152       0.73489166 
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          0.68764596       0.37548623       0.40266068 
          0.56264596       0.37548623       0.33686663 
          0.69225822       0.37817542       0.66334464 
          0.56260842       0.25523578       0.53314779 
          0.68764596       0.25048623       0.46769329 
          0.56264596       0.25048623       0.27102382 
          0.74123205       0.24659304       0.70429868 
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          0.68764596       0.62548623       0.40266068 
          0.56264596       0.62548623       0.33686663 
          0.69268005       0.62538838       0.66440247 
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          0.56264596       0.87548623       0.33686663 
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          0.68764596       0.75048623       0.46769329 
          0.56264596       0.75048623       0.27102382 
          0.72858357       0.75151331       0.72331001 
          0.81324847       0.12011045       0.60186872 
          0.93764596       0.12548623       0.40266068 
          0.81264596       0.12548623       0.33686663 
          0.94105803       0.11675657       0.66746170 
          0.81295539       0.00054372       0.53072679 
          0.93764596       0.00048623       0.46769329 
          0.81264596       0.00048623       0.27102382 
          0.97826033       0.99941172       0.73686164 
          0.81638638       0.37805340       0.59667166 
          0.93764596       0.37548623       0.40266068 
          0.81264596       0.37548623       0.33686663 
          0.93268401       0.38301427       0.67345910 
          0.81342330       0.24799381       0.53551053 
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          0.81264596       0.25048623       0.27102382 
          0.88904748       0.24710343       0.71107935 
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          0.93764596       0.62548623       0.40266068 
          0.81264596       0.62548623       0.33686663 
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          0.81264596       0.50048623       0.27102382 
          0.88284936       0.51018398       0.72908034 
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          0.93764596       0.87548623       0.40266068 
          0.81264596       0.87548623       0.33686663 
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          0.81244076       0.75503435       0.53393461 
          0.93764596       0.75048623       0.46769329 
          0.81264596       0.75048623       0.27102382 
          0.88117463       0.75515260       0.70331826 
          0.69528552       0.75657165       0.83467385 
          0.52689901       0.73620945       0.83274697 
          0.88189325       0.57920433       0.84084452 
          0.69429973       0.49777018       0.79205533 
          0.70810253       0.85515360       0.84528295 
  
 
 
          1 
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        132 
        133 
 
 
  
          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
       250.00000000
       400.00000000
         0.00001000
       38
       10
      336
       -1
       -1
       532.00000000
        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
   
   
         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      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      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
        250.00000000
    
      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
   
  
  
       60
       60
       84
      120
      120
      168
    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      1.33000000      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    126.90400000      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
        22.20738322
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         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
    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
    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
    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
    Si   1
    I    2
    I    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2I     126.90400000      7.00000000  PAW_PBE I 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06246820       0.13134662       0.59884948 
          0.18764596       0.12548623       0.40266068 
          0.06264596       0.12548623       0.33686663 
          0.18829927       0.12701885       0.66512303 
          0.06275429       0.00023307       0.53601787 
          0.18764596       0.00048623       0.46769329 
          0.06264596       0.00048623       0.27102382 
          0.12445948       0.00011690       0.70524196 
          0.06069499       0.37706755       0.60579346 
          0.18764596       0.37548623       0.40266068 
          0.06264596       0.37548623       0.33686663 
          0.19303689       0.37103233       0.66581103 
          0.06198576       0.25517620       0.53365715 
          0.18764596       0.25048623       0.46769329 
          0.06264596       0.25048623       0.27102382 
          0.23852576       0.24798474       0.72209567 
          0.06202183       0.62428646       0.60273448 
          0.18764596       0.62548623       0.40266068 
          0.06264596       0.62548623       0.33686663 
          0.19254165       0.62798092       0.66515591 
          0.06303021       0.49966440       0.53599832 
          0.18764596       0.50048623       0.46769329 
          0.06264596       0.50048623       0.27102382 
          0.25849816       0.49965798       0.70005568 
          0.06175345       0.86843714       0.59804952 
          0.18764596       0.87548623       0.40266068 
          0.06264596       0.87548623       0.33686663 
          0.18725200       0.87312046       0.66463664 
          0.06227996       0.74564099       0.53263774 
          0.18764596       0.75048623       0.46769329 
          0.06264596       0.75048623       0.27102382 
          0.24739101       0.75122732       0.71591378 
          0.31230488       0.11904362       0.59841130 
          0.43764596       0.12548623       0.40266068 
          0.31264596       0.12548623       0.33686663 
          0.43821705       0.12430125       0.66368599 
          0.31263706       0.99935756       0.53023372 
          0.43764596       0.00048623       0.46769329 
          0.31264596       0.00048623       0.27102382 
          0.50280751       0.99748680       0.70331887 
          0.31425200       0.37351477       0.59430173 
          0.43764596       0.37548623       0.40266068 
          0.31264596       0.37548623       0.33686663 
          0.43284158       0.38336065       0.66687913 
          0.31253053       0.24573412       0.53273301 
          0.43764596       0.25048623       0.46769329 
          0.31264596       0.25048623       0.27102382 
          0.38631938       0.25172736       0.71005720 
          0.31585017       0.62797972       0.59406927 
          0.43764596       0.62548623       0.40266068 
          0.31264596       0.62548623       0.33686663 
          0.43240556       0.62134378       0.66695089 
          0.31301326       0.50066636       0.53140054 
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          0.70810253       0.85515360       0.84528295 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
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         -0.01139699       0.01866869      -0.06343163 
         -0.01756116      -0.06475589      -0.01150843 
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         -0.00328887       0.00115840       0.12618077 
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         -0.07988594      -0.01575552       0.15324313 
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         -0.02115730      -0.00987880       0.00600953 
         -0.01164184       0.12781497       0.04803230 
         -0.01529359       0.01614177       0.02097245 
          0.26669615       0.01170105       0.03069931 
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          0.02670621       0.07109390       0.06069828 
         -0.05798419      -0.06243004      -0.03389584 
          0.01223728       0.01383841       0.01478010 
         -0.01100877       0.00939956      -0.05912058 
          0.16330048      -0.33750470      -0.21586844 
          0.03846729       0.00286207      -0.03433431 
         -0.13032001      -0.02120244       0.14583643 
         -0.00447578       0.03247370      -0.00562431 
         -0.01127315       0.00500018       0.01144433 
         -0.05826676       0.05102822      -0.07658676 
          0.00018422      -0.02397264       0.01352526 
          0.01926464      -0.00383344      -0.06474126 
          0.00026195       0.09808023      -0.14226213 
         -0.02653317      -0.00476931       0.01700573 
          0.32976040       0.01796908      -0.04449133 
         -0.00380816      -0.00489343       0.08976449 
         -0.15830667       0.12731122      -0.00867139 
          0.00099159       0.01336448       0.01754134 
          0.11106073      -0.01159257      -0.01260253 
         -0.00417503      -0.00067742       0.01372029 
         -0.03491792       0.00809841      -0.02647455 
          0.01189067       0.00753480      -0.04713908 
         -0.11517727       0.01392238       0.03106533 
          0.00965015      -0.03320386      -0.00195858 
         -0.01437697      -0.00821474      -0.00718471 
         -0.13278581       0.05974860       0.03499977 
         -0.12447642      -0.03516973      -0.13121026 
          0.38791880      -0.26730542       0.01721319 
         -0.06704487       0.01563783       0.01583494 
         -0.09920961      -0.12340701      -0.07398602 
  
  
         -8.22694433       0.15709348      -0.17144071 
          0.15709317       9.76905077      -0.42639387 
         -0.17144035      -0.42639407      -3.68264000 
  
  
      -655.63514074 
      -655.62748412 
      -655.63258854 
  
    282.52  284.54
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -12.4231    1.0000 
         -12.1379    1.0000 
         -10.9899    1.0000 
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           3.5600   -0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000