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 
   
  
  
          0.06182760       0.13168481       0.59844896 
          0.18771894       0.12572935       0.40283365 
          0.06271894       0.12572935       0.33703960 
          0.18701715       0.12421272       0.66441600 
          0.06272667       0.00025896       0.53622002 
          0.18771894       0.00072935       0.46786626 
          0.06271894       0.00072935       0.27119679 
          0.12577188       0.99598212       0.70485815 
          0.06035519       0.37751845       0.60437054 
          0.18771894       0.37572935       0.40283365 
          0.06271894       0.37572935       0.33703960 
          0.19142897       0.37558252       0.66527558 
          0.06213133       0.25549231       0.53347773 
          0.18771894       0.25072935       0.46786626 
          0.06271894       0.25072935       0.27119679 
          0.25144208       0.24896672       0.70642289 
          0.06397944       0.62587127       0.60367617 
          0.18771894       0.62572935       0.40283365 
          0.06271894       0.62572935       0.33703960 
          0.19465190       0.63429554       0.66694049 
          0.06299234       0.50135883       0.53627513 
          0.18771894       0.50072935       0.46786626 
          0.06271894       0.50072935       0.27119679 
          0.25799458       0.50399539       0.69924037 
          0.06312390       0.86902387       0.59930939 
          0.18771894       0.87572935       0.40283365 
          0.06271894       0.87572935       0.33703960 
          0.18983869       0.86803326       0.66663213 
          0.06254424       0.74651199       0.53301294 
          0.18771894       0.75072935       0.46786626 
          0.06271894       0.75072935       0.27119679 
          0.23834387       0.75148915       0.73316693 
          0.31292744       0.11926460       0.59836880 
          0.43771894       0.12572935       0.40283365 
          0.31271894       0.12572935       0.33703960 
          0.43700462       0.12820716       0.66471845 
          0.31257775       0.99913619       0.53057386 
          0.43771894       0.00072935       0.46786626 
          0.31271894       0.00072935       0.27119679 
          0.50165999       0.99984903       0.70256727 
          0.31444820       0.37355498       0.59413482 
          0.43771894       0.37572935       0.40283365 
          0.31271894       0.37572935       0.33703960 
          0.43121769       0.37888808       0.66732141 
          0.31286748       0.24579936       0.53273062 
          0.43771894       0.25072935       0.46786626 
          0.31271894       0.25072935       0.27119679 
          0.39853550       0.25102383       0.72569679 
          0.31505245       0.62740708       0.59412786 
          0.43771894       0.62572935       0.40283365 
          0.31271894       0.62572935       0.33703960 
          0.43305380       0.62102464       0.66533777 
          0.31285857       0.50086798       0.53142479 
          0.43771894       0.50072935       0.46786626 
          0.31271894       0.50072935       0.27119679 
          0.40227399       0.50125605       0.73366105 
          0.31307804       0.87967999       0.59927025 
          0.43771894       0.87572935       0.40283365 
          0.31271894       0.87572935       0.33703960 
          0.43897876       0.87224926       0.66371480 
          0.31250338       0.75461552       0.53258111 
          0.43771894       0.75072935       0.46786626 
          0.31271894       0.75072935       0.27119679 
          0.40046469       0.74857426       0.72284135 
          0.56321399       0.13140488       0.59831733 
          0.68771894       0.12572935       0.40283365 
          0.56271894       0.12572935       0.33703960 
          0.68450385       0.11581898       0.66700284 
          0.56290749       0.00097188       0.53543109 
          0.68771894       0.00072935       0.46786626 
          0.56271894       0.00072935       0.27119679 
          0.64714862       0.99705485       0.73371980 
          0.56092687       0.37664650       0.60372366 
          0.68771894       0.37572935       0.40283365 
          0.56271894       0.37572935       0.33703960 
          0.69216895       0.37848368       0.66332911 
          0.56270516       0.25533617       0.53337549 
          0.68771894       0.25072935       0.46786626 
          0.56271894       0.25072935       0.27119679 
          0.74214996       0.24690488       0.70379563 
          0.56257425       0.62441094       0.60356405 
          0.68771894       0.62572935       0.40283365 
          0.56271894       0.62572935       0.33703960 
          0.69293078       0.62653224       0.66429421 
          0.56274685       0.50068348       0.53600605 
          0.68771894       0.50072935       0.46786626 
          0.56271894       0.50072935       0.27119679 
          0.72917680       0.50165995       0.72417827 
          0.56419626       0.87046576       0.59733168 
          0.68771894       0.87572935       0.40283365 
          0.56271894       0.87572935       0.33703960 
          0.68590899       0.87855182       0.66611991 
          0.56265834       0.74577592       0.53318941 
          0.68771894       0.75072935       0.46786626 
          0.56271894       0.75072935       0.27119679 
          0.72471703       0.75236180       0.72529125 
          0.81323299       0.12003258       0.60210489 
          0.93771894       0.12572935       0.40283365 
          0.81271894       0.12572935       0.33703960 
          0.94097361       0.11834363       0.66766092 
          0.81307645       0.00036851       0.53093162 
          0.93771894       0.00072935       0.46786626 
          0.81271894       0.00072935       0.27119679 
          0.97950706       0.00044055       0.73592634 
          0.81521251       0.37713941       0.59540291 
          0.93771894       0.37572935       0.40283365 
          0.81271894       0.37572935       0.33703960 
          0.93272071       0.38007716       0.66969107 
          0.81327624       0.24735216       0.53515645 
          0.93771894       0.25072935       0.46786626 
          0.81271894       0.25072935       0.27119679 
          0.88982593       0.24773597       0.71326609 
          0.81096038       0.62667101       0.59252813 
          0.93771894       0.62572935       0.40283365 
          0.81271894       0.62572935       0.33703960 
          0.93188649       0.62622258       0.66283018 
          0.81279377       0.50118407       0.52997849 
          0.93771894       0.50072935       0.46786626 
          0.81271894       0.50072935       0.27119679 
          0.88514549       0.50764508       0.72609562 
          0.81304319       0.88150999       0.60144007 
          0.93771894       0.87572935       0.40283365 
          0.81271894       0.87572935       0.33703960 
          0.94147903       0.88330340       0.66740137 
          0.81256916       0.75549130       0.53375594 
          0.93771894       0.75072935       0.46786626 
          0.81271894       0.75072935       0.27119679 
          0.87810377       0.75555165       0.70402277 
          0.68349154       0.75550335       0.83642229 
          0.50737477       0.73693242       0.82479338 
          0.91265853       0.54548363       0.84146163 
          0.69758136       0.49927455       0.79164962 
          0.68858316       0.85719807       0.83782402 
  
 
 
          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 
   
  
  
          0.06182760       0.13168481       0.59844896 
          0.18771894       0.12572935       0.40283365 
          0.06271894       0.12572935       0.33703960 
          0.18701715       0.12421272       0.66441600 
          0.06272667       0.00025896       0.53622002 
          0.18771894       0.00072935       0.46786626 
          0.06271894       0.00072935       0.27119679 
          0.12577188       0.99598212       0.70485815 
          0.06035519       0.37751845       0.60437054 
          0.18771894       0.37572935       0.40283365 
          0.06271894       0.37572935       0.33703960 
          0.19142897       0.37558252       0.66527558 
          0.06213133       0.25549231       0.53347773 
          0.18771894       0.25072935       0.46786626 
          0.06271894       0.25072935       0.27119679 
          0.25144208       0.24896672       0.70642289 
          0.06397944       0.62587127       0.60367617 
          0.18771894       0.62572935       0.40283365 
          0.06271894       0.62572935       0.33703960 
          0.19465190       0.63429554       0.66694049 
          0.06299234       0.50135883       0.53627513 
          0.18771894       0.50072935       0.46786626 
          0.06271894       0.50072935       0.27119679 
          0.25799458       0.50399539       0.69924037 
          0.06312390       0.86902387       0.59930939 
          0.18771894       0.87572935       0.40283365 
          0.06271894       0.87572935       0.33703960 
          0.18983869       0.86803326       0.66663213 
          0.06254424       0.74651199       0.53301294 
          0.18771894       0.75072935       0.46786626 
          0.06271894       0.75072935       0.27119679 
          0.23834387       0.75148915       0.73316693 
          0.31292744       0.11926460       0.59836880 
          0.43771894       0.12572935       0.40283365 
          0.31271894       0.12572935       0.33703960 
          0.43700462       0.12820716       0.66471845 
          0.31257775       0.99913619       0.53057386 
          0.43771894       0.00072935       0.46786626 
          0.31271894       0.00072935       0.27119679 
          0.50165999       0.99984903       0.70256727 
          0.31444820       0.37355498       0.59413482 
          0.43771894       0.37572935       0.40283365 
          0.31271894       0.37572935       0.33703960 
          0.43121769       0.37888808       0.66732141 
          0.31286748       0.24579936       0.53273062 
          0.43771894       0.25072935       0.46786626 
          0.31271894       0.25072935       0.27119679 
          0.39853550       0.25102383       0.72569679 
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         -0.00708458       0.00293683       0.04573252 
          0.01390247       0.01831510      -0.17640055 
          0.08617932       0.02494658       0.01000572 
         -0.00067563       0.00704600       0.01069820 
         -0.03114229       0.03549727      -0.05751095 
          0.03924206       0.02268374       0.02555701 
          0.02168113      -0.00907353       0.06548560 
         -0.22736930      -0.01001244       0.03584435 
         -0.04179901      -0.00412737      -0.01209710 
          0.01139909       0.00900010      -0.01819485 
          0.05358630      -0.00824160       0.02908470 
         -0.09153725      -0.04821158      -0.00108211 
         -0.05575438       0.03298050      -0.11933522 
          0.01891035      -0.01384887       0.03651721 
          0.00883517       0.01655865       0.01417669 
         -0.02421974       0.01290100      -0.07030438 
          0.06271737      -0.02104394       0.14733421 
         -0.02105775       0.00090477       0.18786428 
          0.00505740      -0.00520439       0.02474437 
          0.08118303       0.04510424       0.00874880 
         -0.00977469      -0.01788131       0.00589853 
          0.01837735      -0.00667554      -0.01654209 
         -0.01144463      -0.02241145      -0.01202411 
          0.29197806      -0.02436206      -0.05202188 
          0.02255814       0.00174992      -0.01077895 
         -0.00381464       0.02831852      -0.00755128 
          0.01336276       0.00892764      -0.00817375 
         -0.00949141       0.01800390       0.02182198 
         -0.00583998      -0.01870057      -0.06647210 
          0.01256146       0.01595423       0.00425532 
          0.00994817      -0.00294692       0.03426070 
         -0.01400472      -0.03585610      -0.03576630 
          0.00976151       0.01415406       0.01380864 
          0.13172680      -0.01652451       0.15113155 
         -0.02411892      -0.01968555       0.01031072 
          0.00461373      -0.01195328       0.00174565 
         -0.01560038       0.03121769      -0.07952803 
         -0.01023440      -0.04666571      -0.03074485 
         -0.00007693       0.00295108      -0.03964927 
          0.27711881       0.01149476      -0.01195850 
          0.00697696      -0.00247317       0.14638346 
         -0.00372253      -0.01367416      -0.04322808 
         -0.01034046      -0.00636053       0.01498802 
          0.09701467      -0.00623287      -0.02117773 
         -0.01056103       0.01491682       0.00188044 
          0.01423903       0.03881830      -0.03796551 
         -0.02146226       0.00384772       0.03803138 
         -0.01286069      -0.02038263      -0.06266310 
          0.02708422      -0.01875194       0.01634573 
         -0.12169858       0.00532313      -0.21088113 
         -0.01820942       0.00207894       0.00028943 
         -0.05941751       0.00481764       0.01138266 
          0.03306518      -0.05982247      -0.08012498 
          0.01528642      -0.00181240      -0.00474142 
         -0.01529020       0.00484415       0.00310811 
         -0.17954319      -0.00812812       0.00957313 
         -0.00219395       0.00106921       0.03746766 
          0.00367194      -0.01593563      -0.00310940 
         -0.04359112      -0.01903508      -0.00411887 
         -0.00282631       0.01641559       0.01191468 
          0.04678776       0.01465893      -0.04283799 
         -0.00304577       0.03789728       0.02600992 
         -0.00305508      -0.00783201      -0.02047903 
          0.16735593       0.05027440       0.18032862 
         -0.06691225      -0.00564503       0.10046547 
         -0.01795697      -0.01348706       0.02301696 
         -0.02358658       0.03165554      -0.01032392 
          0.01839362      -0.02741213       0.00977874 
          0.00753150       0.02420972      -0.05415054 
          0.01364345      -0.03116155       0.04837201 
         -0.01663208      -0.01358304       0.00064199 
         -0.31573373      -0.03321783      -0.08597808 
          0.02132527      -0.00811011      -0.02304022 
          0.09359485       0.04337171      -0.30763647 
          0.01543260      -0.00604961       0.00121691 
         -0.11035959      -0.03001510      -0.02043861 
          0.00673076       0.04818233      -0.11084724 
          0.01187072       0.01215904       0.01621372 
          0.00954241       0.02436706      -0.02612763 
          0.01590714       0.03945026       0.04368202 
         -0.04816015      -0.00860152       0.15335271 
         -0.02882858       0.02135907      -0.00056239 
         -0.01580674       0.02353623      -0.00645436 
          0.11120944       0.02947463       0.01631658 
         -0.01140723      -0.00948413      -0.00231140 
         -0.01061225       0.06193771       0.03877941 
         -0.00814700       0.01458481       0.01390130 
          0.26919034       0.00202740       0.04104864 
          0.00567899       0.00369927       0.02933008 
          0.02691461       0.03117421       0.01254125 
         -0.05585525      -0.05763481      -0.04460816 
          0.00772027       0.00852793       0.01732688 
         -0.00804353       0.00853194      -0.06864354 
         -0.03204453       0.00036424      -0.03902923 
          0.00560323      -0.00897949      -0.03889139 
         -0.13132385      -0.02626993       0.09217930 
         -0.01912803       0.03555041      -0.00089875 
          0.00533594      -0.04834756       0.01965150 
         -0.02089724       0.01661922      -0.01816191 
          0.00106573      -0.02803658       0.01189533 
          0.00132663      -0.00205340      -0.07012885 
         -0.05085162       0.01519512      -0.01707249 
         -0.02016051      -0.00142945       0.01706730 
          0.34585713       0.05424029      -0.03940083 
          0.01096498      -0.00483683       0.10544212 
         -0.01803034      -0.01287138      -0.01362646 
         -0.00498436       0.00017866       0.00983492 
          0.10683476      -0.01089803      -0.02151962 
          0.00153757       0.00525235       0.00352846 
         -0.00419618       0.01426994      -0.00041621 
          0.00748936       0.01545235      -0.03374796 
         -0.06939795       0.03207371       0.04009207 
          0.00356149      -0.03984684       0.00874801 
          0.00033173       0.00730677      -0.00988538 
         -0.10718607       0.22525528       0.00977586 
         -0.06669350      -0.00262804       0.01654578 
          0.21413951      -0.19959679      -0.04586753 
         -0.12629897       0.01420880       0.21068730 
         -0.09404418      -0.30101242      -0.06725535 
  
  
         -8.40241794      -0.10566161      -0.24101157 
         -0.10566184       9.35258354      -0.39338858 
         -0.24101185      -0.39338875      -3.06513554 
  
  
      -656.20301758 
      -656.15585823 
      -656.18729780 
  
    274.20  276.22
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -12.5375    1.0000 
         -12.0475    1.0000 
         -10.9816    1.0000 
         -10.6078    1.0000 
         -10.4553    1.0000 
         -10.4477    1.0000 
         -10.3696    1.0000 
         -10.2905    1.0000 
         -10.1046    1.0000 
          -9.9859    1.0000 
          -9.9150    1.0000 
          -9.8172    1.0000 
          -9.7999    1.0000 
          -9.7666    1.0000 
          -9.7439    1.0000 
          -9.6043    1.0000 
          -9.3708    1.0000 
          -9.2805    1.0000 
          -9.2094    1.0000 
          -9.1872    1.0000 
          -9.1234    1.0000 
          -9.0762    1.0000 
          -9.0620    1.0000 
          -8.9334    1.0000 
          -8.8571    1.0000 
          -8.8339    1.0000 
          -8.7829    1.0000 
          -8.7127    1.0000 
          -8.6718    1.0000 
          -8.6406    1.0000 
          -8.6243    1.0000 
          -8.5833    1.0000 
          -8.5506    1.0000 
          -8.4656    1.0000 
          -8.4555    1.0000 
          -8.4151    1.0000 
          -8.3590    1.0000 
          -8.3229    1.0000 
          -8.3101    1.0000 
          -8.3072    1.0000 
          -8.2927    1.0000 
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           0.0026    1.0000 
           0.0491    1.0000 
           0.0904    1.0001 
           0.1043    1.0001 
           0.1176    1.0002 
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           0.2132    1.0018 
           0.2330    1.0027 
           0.2487    1.0036 
           0.3156    1.0112 
           0.3603    1.0200 
           0.4301    1.0343 
           0.4489    1.0355 
           0.4607    1.0349 
           0.4670    1.0340 
           0.4904    1.0267 
           0.5267    0.9983 
           0.5431    0.9769 
           0.5572    0.9534 
           0.5691    0.9299 
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           0.5773    0.9117 
           0.5888    0.8829 
           0.6120    0.8154 
           0.6237    0.7768 
           0.6418    0.7114 
           0.6806    0.5550 
           0.7117    0.4239 
           0.8653   -0.0035 
           0.9110   -0.0320 
           1.0067   -0.0247 
           1.1194   -0.0052 
           1.2686   -0.0002 
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           1.4532   -0.0000 
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           1.5221   -0.0000 
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           1.6459   -0.0000 
           1.6891   -0.0000 
           1.7750   -0.0000 
           1.9255   -0.0000 
           2.0076   -0.0000 
           2.2617   -0.0000 
           2.3256   -0.0000 
           2.3347   -0.0000 
           2.3884   -0.0000 
           2.4167   -0.0000 
           2.4313   -0.0000 
           2.4665   -0.0000 
           2.4726   -0.0000 
           2.5140   -0.0000 
           2.5228   -0.0000 
           2.5672   -0.0000 
           2.5988   -0.0000 
           2.6301   -0.0000 
           2.7344   -0.0000 
           2.7567   -0.0000 
           2.7994   -0.0000 
           2.8084   -0.0000 
           2.8754   -0.0000 
           2.9199   -0.0000 
           2.9482   -0.0000 
           2.9815   -0.0000 
           2.9947   -0.0000 
           3.0178   -0.0000 
           3.0441   -0.0000 
           3.0718   -0.0000 
           3.0921   -0.0000 
           3.1213   -0.0000 
           3.1273   -0.0000 
           3.1425   -0.0000 
           3.1598   -0.0000 
           3.1827   -0.0000 
           3.1973   -0.0000 
           3.2126   -0.0000 
           3.2140   -0.0000 
           3.2478   -0.0000 
           3.2626   -0.0000 
           3.2776   -0.0000 
           3.2981   -0.0000 
           3.3358   -0.0000 
           3.3486   -0.0000 
           3.3591   -0.0000 
           3.3942   -0.0000 
           3.4157   -0.0000 
           3.4484   -0.0000 
           3.4708   -0.0000 
           3.5159   -0.0000 
           3.5416   -0.0000 
           3.5507   -0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000