vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:54:48 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       4740.99950739 
    
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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       -1
       -1
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        0
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         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
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          4
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          0.40000000
          1.00000000
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          1.60000000
          1.00000000
    
          4
      F  
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
        0
        2
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        0
         0.50000000
        -3.00000000
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         0.00010000
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        2
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        0
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      301
        10.00000000
       -10.00000000
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        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
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    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
        12.26120562
         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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       232 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Si   3
    C    4
    C    4
    C    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    Cl   6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.00399280       0.16443091       0.59133771 
          0.16960285       0.33177392       0.27356152 
          0.00471086       0.16278685       0.46077462 
          0.16960285       0.33177392       0.39234361 
          0.00293618       0.16510725       0.33295257 
          0.17168027       0.33104577       0.50806697 
          0.00293618       0.16510725       0.21417048 
          0.17248127       0.33137464       0.62377708 
          0.00863358       0.49242476       0.58815731 
          0.16960285       0.66510725       0.27356152 
          0.00340502       0.49841453       0.45999185 
          0.16960285       0.66510725       0.39234361 
          0.00293618       0.49844059       0.33295257 
          0.17241442       0.66222647       0.50816559 
          0.00293618       0.49844059       0.21417048 
          0.16951201       0.66467695       0.62384908 
          0.00160077       0.83058401       0.59128940 
          0.16960285       0.99844059       0.27356152 
          0.00448817       0.82837047       0.46112808 
          0.16960285       0.99844059       0.39234361 
          0.00293618       0.83177392       0.33295257 
          0.17021396       0.99665013       0.50791645 
          0.00293618       0.83177392       0.21417048 
          0.16953587       0.99758383       0.62395329 
          0.33604179       0.16494261       0.59037760 
          0.50293618       0.33177392       0.27356152 
          0.33624089       0.16525049       0.46002226 
          0.50293618       0.33177392       0.39234361 
          0.33626951       0.16510725       0.33295257 
          0.50592018       0.32927790       0.50809535 
          0.33626951       0.16510725       0.21417048 
          0.50385143       0.33180644       0.62377083 
          0.34041067       0.50207162       0.59130453 
          0.50293618       0.66510725       0.27356152 
          0.34009551       0.49670662       0.46111866 
          0.50293618       0.66510725       0.39234361 
          0.33626951       0.49844059       0.33295257 
          0.50332713       0.66132719       0.51225873 
          0.33626951       0.49844059       0.21417048 
          0.50600022       0.66729934       0.63377472 
          0.33253354       0.83414527       0.58761088 
          0.50293618       0.99844059       0.27356152 
          0.33845052       0.82919381       0.46011267 
          0.50293618       0.99844059       0.39234361 
          0.33626951       0.83177392       0.33295257 
          0.50183316       0.99982512       0.50793201 
          0.33626951       0.83177392       0.21417048 
          0.50125725       0.99948452       0.62390291 
          0.67006870       0.16483556       0.59056147 
          0.83626951       0.33177392       0.27356152 
          0.67257237       0.16237841       0.46081751 
          0.83626951       0.33177392       0.39234361 
          0.66960285       0.16510725       0.33295257 
          0.83915335       0.32901512       0.50795977 
          0.66960285       0.16510725       0.21417048 
          0.83727385       0.33076683       0.62405378 
          0.67455118       0.49581123       0.58828279 
          0.83626951       0.66510725       0.27356152 
          0.67178910       0.49758533       0.46040305 
          0.83626951       0.66510725       0.39234361 
          0.66960285       0.49844059       0.33295257 
          0.83765408       0.66372140       0.51044383 
          0.66960285       0.49844059       0.21417048 
          0.84203568       0.65916128       0.62941935 
          0.66034571       0.83630483       0.58575433 
          0.83626951       0.99844059       0.27356152 
          0.67045228       0.82660354       0.45972876 
          0.83626951       0.99844059       0.39234361 
          0.66960285       0.83177392       0.33295257 
          0.83810877       0.99459622       0.50804482 
          0.66960285       0.83177392       0.21417048 
          0.83614421       0.99796262       0.62376895 
          0.10404333       0.26390852       0.57510015 
          0.26363618       0.23774059       0.27356152 
          0.07556951       0.09247392       0.27356152 
          0.23717887       0.06509603       0.57472373 
          0.10441104       0.26535332       0.45481779 
          0.26363618       0.23774059       0.39234361 
          0.07556951       0.09247392       0.39234361 
          0.23543969       0.06461231       0.45457119 
          0.09696951       0.25914059       0.33295257 
          0.27134202       0.23041177       0.51542216 
          0.06937769       0.09867960       0.51537561 
          0.24223618       0.07107392       0.33295257 
          0.09696951       0.25914059       0.21417048 
          0.26632796       0.23490464       0.63965142 
          0.07475079       0.09379482       0.63999410 
          0.24223618       0.07107392       0.21417048 
          0.10480105       0.59610660       0.57429368 
          0.26363618       0.57107392       0.27356152 
          0.07556951       0.42580725       0.27356152 
          0.23813588       0.39842562       0.57466419 
          0.10395824       0.59827803       0.45437495 
          0.26363618       0.57107392       0.39234361 
          0.07556951       0.42580725       0.39234361 
          0.23634410       0.39743728       0.45462467 
          0.09696951       0.59247392       0.33295257 
          0.27188988       0.56383746       0.51540682 
          0.06946097       0.43214982       0.51505378 
          0.24223618       0.40440725       0.33295257 
          0.09696951       0.59247392       0.21417048 
          0.26458343       0.57048958       0.63994605 
          0.07686895       0.42420501       0.63967845 
          0.24223618       0.40440725       0.21417048 
          0.10266292       0.93078706       0.57454195 
          0.26363618       0.90440725       0.27356152 
          0.07556951       0.75914059       0.27356152 
          0.23322787       0.73247778       0.57363896 
          0.10334380       0.93214055       0.45453541 
          0.26363618       0.90440725       0.39234361 
          0.07556951       0.75914059       0.39234361 
          0.23594321       0.73056723       0.45448106 
          0.09696951       0.92580725       0.33295257 
          0.27035454       0.89744560       0.51391970 
          0.06846945       0.76406981       0.51503729 
          0.24223618       0.73774059       0.33295257 
          0.09696951       0.92580725       0.21417048 
          0.26276233       0.90478289       0.63991895 
          0.07470297       0.75968530       0.63954705 
          0.24223618       0.73774059       0.21417048 
          0.43615930       0.26363193       0.57506566 
          0.59696951       0.23774059       0.27356152 
          0.40890285       0.09247392       0.27356152 
          0.56952529       0.06592991       0.57491811 
          0.43688579       0.26530263       0.45444802 
          0.59696951       0.23774059       0.39234361 
          0.40890285       0.09247392       0.39234361 
          0.56956251       0.06371883       0.45455469 
          0.43030285       0.25914059       0.33295257 
          0.60442830       0.22937593       0.51499165 
          0.40256521       0.09940182       0.51473217 
          0.57556951       0.07107392       0.33295257 
          0.43030285       0.25914059       0.21417048 
          0.59861955       0.23529354       0.63933541 
          0.40729277       0.09396483       0.63973520 
          0.57556951       0.07107392       0.21417048 
          0.43620357       0.59755360       0.57827359 
          0.59696951       0.57107392       0.27356152 
          0.40890285       0.42580725       0.27356152 
          0.57159547       0.39471696       0.57364754 
          0.43799915       0.59904678       0.45592264 
          0.59696951       0.57107392       0.39234361 
          0.40890285       0.42580725       0.39234361 
          0.56955357       0.39728237       0.45462939 
          0.43030285       0.59247392       0.33295257 
          0.60504200       0.56358368       0.51529928 
          0.40365562       0.43203534       0.51540112 
          0.57556951       0.40440725       0.33295257 
          0.43030285       0.59247392       0.21417048 
          0.60028178       0.56262414       0.63244555 
          0.40864052       0.42546814       0.63964556 
          0.57556951       0.40440725       0.21417048 
          0.43489895       0.93409790       0.57409517 
          0.59696951       0.90440725       0.27356152 
          0.40890285       0.75914059       0.27356152 
          0.57021670       0.73291262       0.57814835 
          0.43755383       0.93221292       0.45469079 
          0.59696951       0.90440725       0.39234361 
          0.40890285       0.75914059       0.39234361 
          0.56860218       0.73018907       0.45628826 
          0.43030285       0.92580725       0.33295257 
          0.60447538       0.89652167       0.51614380 
          0.40216128       0.76563623       0.51499572 
          0.57556951       0.73774059       0.33295257 
          0.43030285       0.92580725       0.21417048 
          0.59762418       0.90497085       0.63847089 
          0.40095282       0.76214978       0.63205109 
          0.57556951       0.73774059       0.21417048 
          0.76995854       0.26337914       0.57468412 
          0.93030285       0.23774059       0.27356152 
          0.74223618       0.09247392       0.27356152 
          0.90415446       0.06537806       0.57518816 
          0.77107670       0.26483987       0.45449230 
          0.93030285       0.23774059       0.39234361 
          0.74223618       0.09247392       0.39234361 
          0.90285350       0.06366690       0.45473036 
          0.76363618       0.25914059       0.33295257 
          0.93801849       0.23004624       0.51506031 
          0.73602444       0.09828988       0.51530961 
          0.90890285       0.07107392       0.33295257 
          0.76363618       0.25914059       0.21417048 
          0.93278653       0.23498126       0.63990821 
          0.74095845       0.09317572       0.63934029 
          0.90890285       0.07107392       0.21417048 
          0.77281068       0.59741211       0.57708875 
          0.93030285       0.57107392       0.27356152 
          0.74223618       0.42580725       0.27356152 
          0.90504335       0.39607823       0.57411317 
          0.77094403       0.59956070       0.45552634 
          0.93030285       0.57107392       0.39234361 
          0.74223618       0.42580725       0.39234361 
          0.90312756       0.39712759       0.45446626 
          0.76363618       0.59247392       0.33295257 
          0.93784843       0.56388807       0.51445700 
          0.73712999       0.43174618       0.51427094 
          0.90890285       0.40440725       0.33295257 
          0.76363618       0.59247392       0.21417048 
          0.93779758       0.56494463       0.63498511 
          0.74425982       0.42326012       0.63983564 
          0.90890285       0.40440725       0.21417048 
          0.76991960       0.93226217       0.57419477 
          0.93030285       0.90440725       0.27356152 
          0.74223618       0.75914059       0.27356152 
          0.90345302       0.73189842       0.57791282 
          0.77024356       0.93150973       0.45463517 
          0.93030285       0.90440725       0.39234361 
          0.74223618       0.75914059       0.39234361 
          0.90178859       0.73059697       0.45542839 
          0.76363618       0.92580725       0.33295257 
          0.93747898       0.89619494       0.51579689 
          0.73519835       0.76537877       0.51527446 
          0.90890285       0.73774059       0.33295257 
          0.76363618       0.92580725       0.21417048 
          0.93251648       0.90432518       0.63967466 
          0.74044066       0.76473411       0.63770492 
          0.90890285       0.73774059       0.21417048 
          0.51770301       0.68082967       0.70649117 
          0.46842496       0.67257271       0.79200450 
          0.40433109       0.55658763       0.78709905 
          0.53597449       0.67978941       0.85055536 
          0.39405297       0.77904648       0.78845597 
          0.36880132       0.55014267       0.75095811 
          0.44966720       0.49414785       0.78980142 
          0.35432871       0.55250647       0.81742261 
          0.58352772       0.62089955       0.85112118 
          0.57352252       0.74797188       0.85400892 
          0.49318483       0.67546094       0.88328587 
          0.33781263       0.77466430       0.81604589 
          0.43304221       0.84610716       0.79708130 
          0.36435429       0.78305679       0.74987467 
          0.66694031       0.72861777       0.69016481 
          0.76206103       0.65277941       0.75677086 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
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     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      43.15   43.16
      45.62   45.63
   
       3521.28569793 
     630822.73308244 
    -791461.31287649 
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     178098.53667956 
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      24462.74981923 
      24462.75711655 
   
  
  
      47.85   47.84
      47.86   47.85
   
       2294.82019159 
       2294.84023504 
       2294.82687274 
   
  
  
      49.74   49.73
      49.75   49.74
   
      -2119.14728633 
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      -2119.13594809 
   
  
  
      58.50   58.49
      58.51   58.50
   
      -2555.41715259 
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      63.37   63.37
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      -2614.13330702 
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      56.33   56.34
      59.31   59.33
   
      -2000.59288661 
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      -2000.60967601 
   
  
  
      55.99   55.99
      58.88   58.87
   
      -1988.91218250 
      -1988.95994900 
      -1988.92810467 
   
  
  
      59.45   59.43
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      -1960.84305705 
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      -1960.89083659 
   
  
  
      56.74   56.72
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      -1962.52788159 
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      57.19   57.17
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      -1960.32530069 
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      -1960.33568758 
   
  
  
      53.20   53.18
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      -1960.01947798 
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      54.76   54.75
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      -1959.86908899 
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      55.80   55.77
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      -1959.80865309 
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      56.07   56.04
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      -1959.78179848 
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      56.72   56.71
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      -1959.77337150 
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      58.20   58.17
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      -1959.77994207 
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      57.80   57.78
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      -1959.77020135 
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      55.26   55.26
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      -1959.76915091 
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      55.32   55.30
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      -1959.77290773 
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      54.05   54.03
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      54.93   54.90
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      53.80   53.78
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      51.94   51.92
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      48.24   48.23
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      40.02   40.02
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      -1959.79349040 
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      36.96   36.95
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      -1959.79395053 
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      35.39   35.38
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      -1959.79422626 
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      36.05   36.05
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      34.83   34.83
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      32.09   32.08
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      28.86   28.85
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      25.75   25.74
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      23.76   23.77
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       4740.99950739 
    
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           0.44966720       0.49414785       0.78980142 
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           0.58352772       0.62089955       0.85112118 
           0.57352252       0.74797188       0.85400892 
           0.49318483       0.67546094       0.88328587 
           0.33781263       0.77466430       0.81604589 
           0.43304221       0.84610716       0.79708130 
           0.36435429       0.78305679       0.74987467 
           0.66694031       0.72861777       0.69016481 
           0.76206103       0.65277941       0.75677086 
   
  
  
         -0.00918294      -0.02551759      -0.01471871 
         -0.01009339       0.00489929      -2.36811565 
         -0.00457353      -0.00433287       0.00739398 
         -0.01641631       0.01357758      -0.88523242 
         -0.07647573       0.05231001       1.43738584 
          0.03030367      -0.02756134      -0.02298113 
         -0.00097068      -0.00125892       3.26768307 
          0.07055470      -0.09123734      -0.07244111 
          0.18962560      -0.23939716      -0.24778467 
         -0.01099441       0.00500082      -2.35817405 
          0.02719358      -0.03730236      -0.06736731 
          0.21185821      -0.20802432      -0.93300256 
          0.02846940      -0.01852672       1.28094915 
          0.06458906       0.01016132      -0.05230058 
          0.00182960      -0.00734440       3.25556286 
          0.15721779       0.00688520      -0.07706917 
          0.16030471       0.27878750      -0.01171030 
         -0.01413242       0.00591050      -2.35716345 
          0.02852493       0.02797884      -0.04215700 
          0.13346782      -0.16609926      -0.90631084 
         -0.03447854       0.13846496       1.47380449 
          0.03240125      -0.01154385      -0.00274366 
          0.00777391       0.01084149       3.26259794 
          0.07329420      -0.00745491      -0.01948600 
          0.06207287      -0.05968052      -0.00343572 
         -0.00046276       0.00993938      -2.35509953 
          0.03471445      -0.02468199       0.03330272 
          0.22076436      -0.21383196      -0.87506308 
          0.01632341      -0.01062907       1.32146552 
          0.00793243       0.00118739       0.01273735 
         -0.00321383      -0.00303941       3.26531237 
          0.05166585       0.01562078      -0.03561515 
          0.16593923       0.08486126      -0.08653526 
         -0.00362978      -0.00239306      -2.39287890 
          0.02829359       0.00653998       0.01719774 
          0.19470560      -0.14062733      -0.25756558 
         -0.11269784       0.07039980       1.48044314 
          0.02637896       0.05853100       0.11653374 
         -0.00625247      -0.00769360       3.28078704 
         -0.06846230      -0.00837692       1.28818383 
          0.21887326      -0.10445825       0.11372325 
         -0.00855316       0.01423331      -2.35722422 
          0.01717216       0.00153558       0.04789187 
          0.13096504      -0.10154463      -0.91153619 
         -0.09817700       0.08840523       1.35816850 
          0.07073118      -0.09987643       0.06533248 
         -0.00472499       0.00222003       3.27861222 
          0.12795678      -0.15374351      -0.03527318 
         -0.03073023      -0.03054724       0.00555321 
         -0.01148821       0.00663602      -2.36284994 
         -0.01836473      -0.00935057       0.01306705 
          0.14047160      -0.17396912      -0.95116548 
         -0.09259501       0.08661885       1.45652290 
         -0.05381255      -0.02747649      -0.01351237 
          0.00184545       0.00072258       3.26927568 
         -0.11167614       0.00219450       0.04039645 
         -0.34480213      -0.03682766       0.18534974 
         -0.00804082       0.00125390      -2.40945284 
         -0.04135059      -0.01115402       0.02870151 
          0.16771296      -0.14372238      -0.59761827 
         -0.07806494      -0.01351181       1.36887809 
         -0.13994826       0.06943997      -0.27116446 
          0.00383545      -0.00051385       3.26113409 
         -1.10426513       0.59596776      -0.32839899 
          0.20129528      -0.36075052       0.39409855 
          0.00091595       0.00704879      -2.36148964 
         -0.11767262       0.08218188       0.16298699 
          0.20521163      -0.22610285      -0.81540690 
         -0.08909473       0.17858323       1.26570109 
         -0.05975447       0.01559787      -0.00415429 
          0.00231736       0.00983558       3.25876788 
         -0.14042819      -0.02635059       0.03361054 
          0.01578148       0.02826652       0.02538395 
          2.31918617      -2.32353469      -0.84057660 
         -2.29891218       2.30841982      -0.85196918 
         -0.01639770       0.00185535       0.01077699 
          0.00923279       0.01087639       0.00520633 
          1.80441077      -1.80773013       0.17954605 
         -1.80253781       1.82100071       0.21952128 
         -0.00416857      -0.00264917      -0.00010124 
          1.82064091       1.82112883       0.16113956 
         -0.02746898       0.01536662       0.00871521 
         -0.01007753       0.00222718       0.00915698 
         -1.80260194      -1.78477505       0.14778471 
         -0.35293440      -0.34552934      -0.22321755 
         -0.05460156       0.06214464       0.03715050 
         -0.00475155       0.01081338       0.01070593 
          0.35176971       0.34900404      -0.22783778 
         -0.06976128      -0.05522467       0.02787623 
          2.31964557      -2.31432857      -0.85593696 
         -2.31016745       2.31344005      -0.83537169 
         -0.03662908      -0.02071133       0.03388637 
         -0.00865590      -0.01214429       0.01711733 
          1.71837716      -1.67247307       0.03006681 
         -1.76289659       1.76270583       0.19212205 
         -0.00755726      -0.00859731       0.01082125 
          1.75469804       1.78593799       0.13989679 
         -0.04724945       0.02108288       0.01085017 
         -0.04847439       0.04404180       0.08612134 
         -1.80888737      -1.81326756       0.15649790 
         -0.35298026      -0.34736741      -0.22431797 
         -0.07710928       0.04640556       0.07385861 
         -0.08428449       0.10102901      -0.02858275 
          0.35203243       0.35913133      -0.22780041 
         -0.06647731      -0.07101969       0.00917527 
          2.32493467      -2.31317466      -0.84920327 
         -2.29708599       2.30472071      -0.85370864 
         -0.07925895      -0.06842734       0.03177536 
         -0.01652231      -0.01802113       0.00060050 
          1.72097038      -1.70562862       0.04138014 
         -1.83720590       1.79524767       0.26743191 
         -0.02103947      -0.02584449       0.02331179 
          1.79071009       1.79420572       0.13439525 
         -0.03964851       0.01411424      -0.03841257 
         -0.03185868      -0.00255028       0.05133805 
         -1.79130205      -1.79572397       0.13872401 
         -0.35236133      -0.35440206      -0.22409403 
         -0.08540612       0.07798566       0.07429560 
         -0.08452545      -0.00732297       0.04966110 
          0.35191118       0.33908414      -0.23041481 
          0.00102801       0.01307062       0.00612886 
          2.30675279      -2.32023431      -0.85866574 
         -2.32276560       2.31596391      -0.84066903 
          0.02507454       0.05262128      -0.01583153 
          0.00421326       0.01014979      -0.00623324 
          1.67566234      -1.69078215       0.01931972 
         -1.81543047       1.79511229       0.18881364 
          0.00749363       0.02951352      -0.02609214 
          1.77908140       1.80185735       0.13834770 
          0.01216094       0.00162406      -0.00013331 
         -0.01741296       0.01440773      -0.02344003 
         -1.79627434      -1.81147099       0.13794158 
         -0.34579591      -0.34696753      -0.22784641 
         -0.01019356       0.01672400       0.00926257 
         -0.06488693       0.07352517       0.00592815 
          0.35594929       0.34559785      -0.22366749 
         -0.15347019      -0.15096515      -0.14836697 
          2.30919544      -2.31040927      -0.84506066 
         -2.31201979       2.30126199      -0.85616813 
         -0.01635440      -0.02159404       0.00835978 
         -0.02943093      -0.02603676      -0.03471848 
          1.71375886      -1.67837728       0.12545269 
         -1.80573251       1.83761086       0.26217962 
         -0.00330807      -0.00314449      -0.00038324 
          1.84412954       1.84622813       0.18845804 
          0.06088023      -0.01703931      -0.03343171 
         -0.00686126      -0.00997404      -0.00266501 
         -1.77762030      -1.76144578       0.13665784 
         -0.34386582      -0.34261049      -0.22532022 
          0.28782130      -0.31818584      -0.33703470 
         -0.01677435      -0.01435365       0.05099877 
          0.35635883       0.35727318      -0.22778370 
         -0.00985074       0.02377415      -0.01441114 
          2.32146450      -2.32337694      -0.83349511 
         -2.30939010       2.30283091      -0.84940869 
          0.05628538       0.09188686      -0.21038983 
         -0.01615387      -0.00124163      -0.02248337 
          1.74696500      -1.81243109       0.07527282 
         -1.79052663       1.78601905       0.27341845 
         -0.02532693      -0.03842337      -0.03293980 
          1.79999448       1.78262850       0.14411983 
          0.04213014      -0.01738328      -0.03839555 
         -0.02757585       0.01062246      -0.05233231 
         -1.80634693      -1.82954019       0.20318541 
         -0.34639075      -0.35681623      -0.22897784 
         -0.23937258       0.24818327       0.03664553 
         -0.33112374       0.26477156      -0.24390452 
          0.35552272       0.33788865      -0.22419140 
          0.01983964       0.02251304       0.00479994 
          2.31587216      -2.32283096      -0.85184326 
         -2.30301515       2.30393524      -0.85445890 
          0.02322741       0.01085707      -0.00154704 
          0.00654931       0.01453869       0.00982270 
          1.73093986      -1.73162518       0.06004632 
         -1.80884428       1.80722792       0.24521675 
          0.00701321       0.01029036      -0.00098337 
          1.81330950       1.81281873       0.14041059 
         -0.00491943       0.00753405       0.01291088 
          0.01516500      -0.00055787      -0.00108136 
         -1.81388065      -1.79441940       0.13847600 
         -0.34358990      -0.34720349      -0.22222060 
          0.02373079       0.00419817      -0.00006985 
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          0.33971610       0.34631416      -0.22220502 
          0.51431555       0.30709865       0.30034631 
          2.31417133      -2.31392480      -0.83674964 
         -2.31333322       2.31219033      -0.84114021 
          0.09272247       0.09088657       0.00740335 
          0.04502725       0.03008542       0.05475625 
          1.72934458      -1.73596075       0.22636000 
         -1.78798641       1.83534123       0.22807189 
          0.01604670       0.01467437       0.00798837 
          1.83832312       1.84808969       0.21556059 
         -0.00852921       0.02242048       0.07393224 
          0.03082984      -0.00344011      -0.02271177 
         -1.79873949      -1.76310862       0.15147829 
         -0.34487213      -0.34701327      -0.21750016 
         -0.25711131       0.28224250       0.47859808 
          0.07965777      -0.04290143      -0.01121320 
          0.34298075       0.35929902      -0.22251423 
          0.09471981       0.05865013      -0.00992978 
          2.31478911      -2.30879918      -0.85563358 
         -2.31159723       2.30967042      -0.83012325 
         -0.29451156      -0.40781651       0.36052439 
          0.03112853       0.02062197      -0.00169438 
          1.65734702      -1.70140152       0.01891846 
         -1.87905627       1.80456611       0.35371594 
         -0.01233535      -0.03001095       0.04901645 
          1.76944322       1.76097218       0.14175418 
          0.01666935      -0.05471885       0.04726203 
          0.12505043      -0.08887747      -0.06677185 
         -1.86807479      -1.86617025       0.20534573 
         -0.34879897      -0.35796251      -0.22458198 
          0.11672060      -0.12490367      -0.05064631 
         -1.02680467      -0.95276134       1.40391460 
          0.33797466       0.33654752      -0.21672769 
          0.17388275       0.10973811       1.98112072 
         -0.93996975      -0.33823933      -4.51800336 
          2.42230208       0.56416530      -0.22374501 
          3.28822017       1.04880645      -1.12471119 
          1.42806166       0.82201314      -0.20620153 
         -1.45254806      -0.12542689      -2.58392508 
          0.82320302      -0.69640619       0.18969867 
         -2.07891520      -0.13367991       2.37731913 
          1.61134733      -1.24661635       0.36847865 
          0.63397831       0.37629685      -0.00517105 
         -2.64272936      -0.36103342       2.99554058 
         -1.83112267      -0.19549833       1.68083811 
          0.21066530       0.07216753      -0.06084332 
         -0.92122298       0.37894119      -1.98568304 
          1.68984890      -0.14439360      -0.63128755 
         -0.34041641       0.50817680      -1.38544590 
  
  
        -25.45112266       0.16628057       1.79413599 
          0.16628027     -26.85868454       0.54599115 
          1.79413619       0.54598997     -42.06372757 
  
  
     -1959.79454068 
     -1959.86384771 
     -1959.81764302 
  
   1822.58 1822.35
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.8068    1.0000 
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