vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:54:39 
 
 
  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 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
     1062
       -1
       -1
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        0
        0
        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  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
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        2
         0.00001000
  
  
        0
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      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
  
  
        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 
   
  
  
          0.00568340       0.16620978       0.58864460 
          0.17206375       0.33311056       0.27087293 
          0.00803139       0.16378982       0.45812577 
          0.17206375       0.33311056       0.38965502 
          0.00539708       0.16644389       0.33026398 
          0.17567040       0.33144643       0.50544131 
          0.00539708       0.16644389       0.21148189 
          0.17353520       0.33310128       0.62130429 
          0.00683542       0.49814620       0.58761606 
          0.17206375       0.66644389       0.27087293 
          0.00819194       0.49732059       0.45803246 
          0.17206375       0.66644389       0.38965502 
          0.00539708       0.49977723       0.33026398 
          0.17504002       0.66335438       0.50550249 
          0.00539708       0.49977723       0.21148189 
          0.17229244       0.66635231       0.62142932 
          0.00559846       0.83277627       0.58800540 
          0.17206375       0.99977723       0.27087293 
          0.00770025       0.83031729       0.45826109 
          0.17206375       0.99977723       0.38965502 
          0.00539708       0.83311056       0.33026398 
          0.17385001       0.99789321       0.50519428 
          0.00539708       0.83311056       0.21148189 
          0.17188625       0.99978693       0.62137559 
          0.33902773       0.16589352       0.58786978 
          0.50539708       0.33311056       0.27087293 
          0.34118728       0.16434129       0.45807230 
          0.50539708       0.33311056       0.38965502 
          0.33873041       0.16644389       0.33026398 
          0.50805934       0.33040901       0.50548937 
          0.33873041       0.16644389       0.21148189 
          0.50619673       0.33251917       0.62143975 
          0.34218741       0.50229572       0.58926123 
          0.50539708       0.66644389       0.27087293 
          0.34290846       0.49839523       0.45866902 
          0.50539708       0.66644389       0.38965502 
          0.33873041       0.49977723       0.33026398 
          0.50822454       0.66352085       0.50930781 
          0.33873041       0.49977723       0.21148189 
          0.50477440       0.66762250       0.63089018 
          0.33526662       0.83632196       0.58501978 
          0.50539708       0.99977723       0.27087293 
          0.34190084       0.82987408       0.45757360 
          0.50539708       0.99977723       0.38965502 
          0.33873041       0.83311056       0.33026398 
          0.50797951       0.99732036       0.50545259 
          0.33873041       0.83311056       0.21148189 
          0.50523511       0.99938562       0.62142496 
          0.67283010       0.16568060       0.58799414 
          0.83873041       0.33311056       0.27087293 
          0.67475407       0.16359090       0.45820695 
          0.83873041       0.33311056       0.38965502 
          0.67206375       0.16644389       0.33026398 
          0.84216906       0.32972428       0.50526333 
          0.67206375       0.16644389       0.21148189 
          0.83909796       0.33262264       0.62143336 
          0.67565562       0.49677709       0.58534594 
          0.83873041       0.66644389       0.27087293 
          0.67450753       0.49757897       0.45747238 
          0.83873041       0.66644389       0.38965502 
          0.67206375       0.49977723       0.33026398 
          0.84169447       0.66381536       0.50580127 
          0.67206375       0.49977723       0.21148189 
          0.84010099       0.66486597       0.62215161 
          0.66867980       0.83067478       0.58809878 
          0.83873041       0.99977723       0.27087293 
          0.67371534       0.82880021       0.45840539 
          0.83873041       0.99977723       0.38965502 
          0.67206375       0.83311056       0.33026398 
          0.84058858       0.99620457       0.50548630 
          0.67206375       0.83311056       0.21148189 
          0.83855910       0.99865819       0.62131833 
          0.10596662       0.26532227       0.57264820 
          0.26609708       0.23907723       0.27087293 
          0.07803041       0.09381056       0.27087293 
          0.23943477       0.06659303       0.57201796 
          0.10688963       0.26665191       0.45228484 
          0.26609708       0.23907723       0.38965502 
          0.07803041       0.09381056       0.38965502 
          0.23830427       0.06563748       0.45189917 
          0.09943041       0.26047723       0.33026398 
          0.27416201       0.23157655       0.51285438 
          0.07212843       0.09975910       0.51260249 
          0.24469708       0.07241056       0.33026398 
          0.09943041       0.26047723       0.21148189 
          0.26792696       0.23654908       0.63669464 
          0.07676289       0.09509175       0.63738883 
          0.24469708       0.07241056       0.21148189 
          0.10572494       0.59839112       0.57237692 
          0.26609708       0.57241056       0.27087293 
          0.07803041       0.42714389       0.27087293 
          0.24020834       0.39963228       0.57237404 
          0.10672112       0.59959584       0.45187200 
          0.26609708       0.57241056       0.38965502 
          0.07803041       0.42714389       0.38965502 
          0.23898614       0.39891068       0.45203033 
          0.09943041       0.59381056       0.33026398 
          0.27411413       0.56500878       0.51308888 
          0.07240364       0.43325522       0.51279023 
          0.24469708       0.40574389       0.33026398 
          0.09943041       0.59381056       0.21148189 
          0.26626142       0.57104497       0.63748705 
          0.07751252       0.42731369       0.63681025 
          0.24469708       0.40574389       0.21148189 
          0.10515453       0.93243749       0.57199684 
          0.26609708       0.90574389       0.27087293 
          0.07803041       0.76047723       0.27087293 
          0.23668128       0.73357988       0.57141308 
          0.10620303       0.93356068       0.45191614 
          0.26609708       0.90574389       0.38965502 
          0.07803041       0.76047723       0.38965502 
          0.23858270       0.73177282       0.45198935 
          0.09943041       0.92714389       0.33026398 
          0.27324466       0.89854721       0.51162205 
          0.07160142       0.76603495       0.51239492 
          0.24469708       0.73907723       0.33026398 
          0.09943041       0.92714389       0.21148189 
          0.26517534       0.90640553       0.63705355 
          0.07701022       0.76140790       0.63684968 
          0.24469708       0.73907723       0.21148189 
          0.43885201       0.26489183       0.57247419 
          0.59943041       0.23907723       0.27087293 
          0.41136375       0.09381056       0.27087293 
          0.57311804       0.06638932       0.57248710 
          0.43974156       0.26652149       0.45188570 
          0.59943041       0.23907723       0.38965502 
          0.41136375       0.09381056       0.38965502 
          0.57219894       0.06508340       0.45189850 
          0.43276375       0.26047723       0.33026398 
          0.60698406       0.23080430       0.51243454 
          0.40560901       0.10020620       0.51239042 
          0.57803041       0.07241056       0.33026398 
          0.43276375       0.26047723       0.21148189 
          0.60127443       0.23641062       0.63675625 
          0.41025951       0.09473595       0.63686115 
          0.57803041       0.07241056       0.21148189 
          0.43831710       0.59785530       0.57625243 
          0.59943041       0.57241056       0.27087293 
          0.41136375       0.42714389       0.27087293 
          0.57379917       0.39648012       0.57151619 
          0.44073446       0.60050622       0.45360877 
          0.59943041       0.57241056       0.38965502 
          0.41136375       0.42714389       0.38965502 
          0.57188267       0.39849323       0.45200926 
          0.43276375       0.59381056       0.33026398 
          0.60763546       0.56421299       0.51276316 
          0.40606079       0.43314705       0.51294116 
          0.57803041       0.40574389       0.33026398 
          0.43276375       0.59381056       0.21148189 
          0.60632322       0.56660481       0.62993488 
          0.41084049       0.42587110       0.63753723 
          0.57803041       0.40574389       0.21148189 
          0.43810904       0.93496087       0.57142402 
          0.59943041       0.90574389       0.27087293 
          0.41136375       0.76047723       0.27087293 
          0.57376228       0.73340469       0.57591640 
          0.44010054       0.93324926       0.45202880 
          0.59943041       0.90574389       0.38965502 
          0.41136375       0.76047723       0.38965502 
          0.57135649       0.73117005       0.45364563 
          0.43276375       0.92714389       0.33026398 
          0.60693799       0.89775312       0.51313161 
          0.40495950       0.76675055       0.51254935 
          0.57803041       0.73907723       0.33026398 
          0.43276375       0.92714389       0.21148189 
          0.60073788       0.90543322       0.63699106 
          0.40543562       0.76576230       0.63006435 
          0.57803041       0.73907723       0.21148189 
          0.77242204       0.26490254       0.57204413 
          0.93276375       0.23907723       0.27087293 
          0.74469708       0.09381056       0.27087293 
          0.90645715       0.06613470       0.57266952 
          0.77381436       0.26590682       0.45190281 
          0.93276375       0.23907723       0.38965502 
          0.74469708       0.09381056       0.38965502 
          0.90526494       0.06499776       0.45226465 
          0.76609708       0.26047723       0.33026398 
          0.94077903       0.23109013       0.51285444 
          0.73854218       0.09945833       0.51283404 
          0.91136375       0.07241056       0.33026398 
          0.76609708       0.26047723       0.21148189 
          0.93508624       0.23668600       0.63727384 
          0.74405577       0.09459609       0.63682367 
          0.91136375       0.07241056       0.21148189 
          0.77580523       0.59800087       0.57174549 
          0.93276375       0.57241056       0.27087293 
          0.74469708       0.42714389       0.27087293 
          0.90688744       0.39907907       0.57195036 
          0.77346564       0.60011003       0.45214816 
          0.93276375       0.57241056       0.38965502 
          0.74469708       0.42714389       0.38965502 
          0.90592694       0.39807764       0.45189528 
          0.76609708       0.59381056       0.33026398 
          0.94113082       0.56482342       0.51233220 
          0.73959237       0.43234655       0.51118599 
          0.91136375       0.40574389       0.33026398 
          0.76609708       0.59381056       0.21148189 
          0.93610013       0.56984354       0.63610865 
          0.74660464       0.42521739       0.63735386 
          0.91136375       0.40574389       0.21148189 
          0.77228686       0.93204966       0.57229939 
          0.93276375       0.90574389       0.27087293 
          0.74469708       0.76047723       0.27087293 
          0.90679135       0.73306763       0.57285800 
          0.77297443       0.93291163       0.45205606 
          0.93276375       0.90574389       0.38965502 
          0.74469708       0.76047723       0.38965502 
          0.90524235       0.73210155       0.45196243 
          0.76609708       0.92714389       0.33026398 
          0.94028601       0.89772685       0.51295177 
          0.73868502       0.76594770       0.51285839 
          0.91136375       0.73907723       0.33026398 
          0.76609708       0.92714389       0.21148189 
          0.93509980       0.90433719       0.63673611 
          0.74531243       0.76139118       0.63698341 
          0.91136375       0.73907723       0.21148189 
          0.50613158       0.66493817       0.70500710 
          0.45736255       0.65600700       0.83868639 
          0.39323805       0.54704966       0.81370425 
          0.46088357       0.66076599       0.91188008 
          0.41055421       0.77043883       0.81169449 
          0.39335623       0.54538568       0.77057570 
          0.42576807       0.48016925       0.82781346 
          0.31983456       0.54850153       0.82708867 
          0.49309443       0.59570600       0.92761179 
          0.50114489       0.72374165       0.92594771 
          0.38982558       0.66655006       0.92773444 
          0.33682769       0.78027758       0.82423728 
          0.45198656       0.83314824       0.82587166 
          0.41272609       0.76812976       0.76831255 
          0.57216791       0.64562781       0.72012508 
          0.62611852       0.63800213       0.81804165 
  
  
     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 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      35.05   35.07
      40.19   40.21
   
       3521.28569793 
     623991.35783529 
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      46.85   46.86
      46.85   46.86
   
       2282.13717519 
       2282.18595897 
       2282.15343645 
   
  
  
      49.45   49.43
      49.45   49.44
   
      -2123.74397886 
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      -2123.71987581 
   
  
  
      58.13   58.12
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      -2556.97810984 
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      63.85   63.84
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      -2616.63694943 
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      55.45   55.43
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      -2004.13425466 
      -2004.16881757 
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      55.62   55.60
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      -1993.14002484 
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      59.62   59.60
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      -1965.05142085 
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      57.78   57.77
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      -1965.51198894 
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      58.00   57.98
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      -1963.94043688 
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      54.71   54.69
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      -1964.14955088 
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      56.39   56.38
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      57.46   57.44
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      57.64   57.63
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      55.74   55.73
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      -1964.01866609 
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      54.56   54.54
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      55.89   55.87
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      54.13   54.15
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      50.94   50.95
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      53.08   53.08
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      52.70   52.69
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      46.97   46.95
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      41.88   41.88
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      37.37   37.37
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      36.12   36.11
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      35.28   35.27
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      34.09   34.08
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      30.62   30.61
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         -0.00088999      -0.01239569      -0.00625704 
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         -0.00134544      -0.00130384       0.00493954 
          0.20313353      -0.17597630      -0.84944536 
         -0.07828267       0.07016404       1.42000408 
          0.01089995      -0.01057813       0.00573506 
          0.00532844      -0.00636112       3.26327470 
          0.02020707      -0.01549053      -0.03077978 
          0.01902104      -0.02989402      -0.04620467 
         -0.01354843      -0.00566314      -2.35400111 
          0.00104706      -0.00692603      -0.00824290 
          0.20340088      -0.23686965      -0.91784102 
         -0.06960054       0.08491593       1.41071383 
          0.01365718      -0.00022926      -0.02449254 
         -0.00158780      -0.00144114       3.26302747 
          0.02183647      -0.00091219      -0.02436720 
         -0.00035589       0.04112879      -0.00924929 
         -0.01298500       0.01263697      -2.35653506 
         -0.00294271       0.00756064      -0.01129368 
          0.20613999      -0.20914445      -0.95856346 
         -0.07144114       0.09457521       1.45021052 
          0.00471572       0.01021520      -0.00328796 
          0.00527971       0.00895474       3.26383853 
          0.00924758       0.01593110      -0.00702244 
          0.01534473      -0.01795722      -0.00272972 
         -0.00578209       0.00908867      -2.35552362 
          0.00557880      -0.00994863       0.02039834 
          0.18240617      -0.21248022      -0.91352646 
         -0.07842842       0.06664713       1.42360320 
         -0.00312099      -0.00498811       0.00390177 
         -0.00833559      -0.01092270       3.26462404 
          0.00650720      -0.00094097       0.01058272 
          0.03492962      -0.00125562      -0.01781347 
         -0.00523445       0.00589109      -2.39038226 
          0.00817865       0.00155766       0.00853686 
          0.23073216      -0.23053282      -0.30990107 
         -0.12512121       0.04827496       1.48680408 
          0.00931623       0.01379304       0.01712012 
          0.00207378      -0.00277945       3.27060950 
         -0.05924554       0.08659198      -0.28478967 
          0.03022480       0.00553187      -0.00075711 
          0.00414839       0.01473364      -2.35492911 
          0.00130650       0.00445515      -0.01195726 
          0.23928988      -0.19633511      -0.91062118 
         -0.13624496       0.13554075       1.33788849 
          0.04466802      -0.03326010       0.01305701 
         -0.00746392       0.01029529       3.26140693 
          0.04179534      -0.03073495       0.00425894 
         -0.00839642      -0.01823401       0.00199132 
         -0.01480014       0.00921509      -2.35988580 
         -0.00545889      -0.00931709       0.00080510 
          0.22611267      -0.23486584      -0.94853202 
         -0.09069992       0.07633032       1.44389549 
         -0.00656458      -0.00622192      -0.00985783 
          0.00429593      -0.00102530       3.26387744 
         -0.00480172      -0.01727453      -0.00307051 
         -0.02754799      -0.03681901      -0.01678101 
         -0.01166528       0.00873254      -2.36696416 
         -0.00645496       0.00148806      -0.00149954 
          0.22004661      -0.18175525      -0.87457347 
         -0.06962468       0.05515040       1.31987964 
         -0.02692190       0.03508403      -0.03599181 
         -0.00153830      -0.00031384       3.24911548 
         -0.34877536       0.36648932      -0.20831550 
          0.21946707      -0.18341414       0.22992470 
         -0.02425239       0.00779746      -2.35668159 
         -0.03042556       0.02751753       0.06402696 
          0.18912760      -0.21552272      -0.83266407 
         -0.05393205       0.13982674       1.45347352 
         -0.01371032      -0.00666092       0.01311902 
          0.00751525       0.00102509       3.25995839 
         -0.04427593      -0.01948160      -0.00535308 
          0.00233074       0.00454384       0.00738317 
          2.30829150      -2.32385075      -0.85699097 
         -2.30390456       2.30230737      -0.85484364 
         -0.00626631      -0.00602993       0.01201653 
          0.00198829       0.00001682      -0.00313857 
          1.68218533      -1.69487643       0.05897385 
         -1.82800141       1.82883853       0.27606092 
         -0.00680229      -0.00577013      -0.00062140 
          1.80659986       1.81922492       0.15280409 
         -0.00665863       0.00278717      -0.00174662 
         -0.00443548       0.00393468      -0.00177475 
         -1.80988737      -1.80064512       0.14402017 
         -0.34802846      -0.34282444      -0.22473354 
         -0.01436309       0.01862370       0.01437516 
          0.00440439      -0.00262586       0.00392647 
          0.35219387       0.34955746      -0.22687449 
         -0.01161019      -0.00789679       0.00879427 
          2.30977035      -2.31453705      -0.85803021 
         -2.30237061       2.30368822      -0.85390366 
         -0.01680433      -0.00902488       0.01641289 
          0.00496946       0.00238278       0.00708823 
          1.71060918      -1.65646905       0.04721771 
         -1.79231858       1.79707477       0.27009021 
         -0.00499656      -0.00046164      -0.00151268 
          1.79451184       1.79736659       0.13857657 
         -0.01244377       0.00460244       0.00253251 
         -0.01154904       0.01158647       0.01553976 
         -1.80600150      -1.79679161       0.14504876 
         -0.34630008      -0.35279402      -0.22431043 
         -0.01434053       0.02055317       0.03274192 
         -0.01226469       0.01579013       0.00096801 
          0.35178211       0.35335645      -0.22588063 
         -0.01167832      -0.01768757       0.00523439 
          2.31775712      -2.31798469      -0.84819213 
         -2.30046393       2.31020204      -0.85766809 
         -0.01134493      -0.00554226       0.00905307 
         -0.00260047      -0.00439299      -0.00380005 
          1.69287631      -1.69430094       0.03390318 
         -1.80375679       1.81380997       0.27795808 
         -0.00732167      -0.00382533       0.00772258 
          1.80427788       1.81208845       0.14182827 
         -0.00323854      -0.00248350      -0.00249247 
         -0.00120777      -0.00538018       0.00932262 
         -1.78517935      -1.79528400       0.14818919 
         -0.34711698      -0.35024666      -0.22628201 
         -0.00457930       0.00058075       0.01790161 
         -0.00469913      -0.00786131       0.02417741 
          0.35451323       0.34153961      -0.23025799 
          0.00425726       0.00691643       0.00521814 
          2.31314407      -2.32267919      -0.85771899 
         -2.31141379       2.30127426      -0.85514237 
          0.00389298       0.01310824      -0.00103660 
          0.00403757       0.00642630      -0.00156710 
          1.69343731      -1.69443663       0.04956495 
         -1.81810629       1.80222121       0.27063515 
         -0.00141175       0.00292200      -0.00371352 
          1.80700495       1.81398192       0.14129318 
          0.00478252      -0.00007222      -0.00182596 
         -0.00012972       0.00332644      -0.01310836 
         -1.80572453      -1.80136641       0.13715216 
         -0.34001480      -0.34363116      -0.22306555 
         -0.00065792       0.00110882      -0.00086107 
         -0.01587584       0.01823482       0.00219739 
          0.34903282       0.34648481      -0.22137639 
         -0.05749779      -0.03676380      -0.01554192 
          2.31411287      -2.31298399      -0.83939881 
         -2.31138860       2.30357265      -0.85494649 
          0.00848940       0.01104859       0.00559607 
         -0.00771866      -0.00565810      -0.00304023 
          1.67539475      -1.66649408       0.11101899 
         -1.78347415       1.83614070       0.29321484 
         -0.00020951       0.00154062       0.00019824 
          1.85712408       1.85548449       0.20782283 
          0.01134577      -0.00661444      -0.00155532 
         -0.00292507      -0.00181624       0.00130189 
         -1.78772540      -1.77430524       0.15079751 
         -0.33934765      -0.34940679      -0.22031393 
          0.05928722       0.00204364       0.00188953 
         -0.00654614      -0.00185917       0.00427389 
          0.35035993       0.35300718      -0.22253757 
         -0.01942517      -0.00647982      -0.00335188 
          2.31645750      -2.31206687      -0.85431641 
         -2.30988664       2.31146751      -0.84211981 
         -0.04146071      -0.04384063      -0.02798867 
         -0.00973495      -0.00010240      -0.00853758 
          1.66458061      -1.71973606       0.04247944 
         -1.79497166       1.79665562       0.34463087 
         -0.01386377      -0.01759651      -0.00097489 
          1.79620472       1.78570193       0.14846615 
         -0.00241625       0.00317199      -0.01420590 
         -0.00714888       0.00157577      -0.00559320 
         -1.85127693      -1.85359617       0.20905620 
         -0.34198691      -0.35449486      -0.22826303 
         -0.07677417       0.07596670       0.01983540 
         -0.04590469       0.00795783      -0.00506845 
          0.34715475       0.33917092      -0.21627355 
          0.00713824       0.01018261       0.00765083 
          2.32689509      -2.32678249      -0.85111202 
         -2.30158203       2.29839325      -0.85630169 
          0.00883447       0.00490898      -0.00094432 
          0.00309736       0.00231231       0.00321863 
          1.72018194      -1.71637785       0.05340452 
         -1.79454038       1.78922491       0.26682535 
          0.00646325       0.00482093      -0.00587107 
          1.80382534       1.82354857       0.15114716 
         -0.00042599       0.00388439       0.00458901 
         -0.00008052       0.00643426      -0.00522851 
         -1.81268209      -1.79967385       0.14793405 
         -0.35248319      -0.34420631      -0.21897102 
         -0.00347274       0.00961396       0.00475139 
         -0.00240107       0.01141360      -0.00879691 
          0.34557162       0.34997149      -0.22249117 
          0.06363049       0.02452164       0.04019591 
          2.32579552      -2.31514056      -0.85347074 
         -2.30787632       2.30929631      -0.84030093 
          0.01304085       0.01453072       0.01059231 
          0.00521875       0.00241799       0.00831146 
          1.70153250      -1.69963074       0.07092152 
         -1.82136089       1.83055497       0.28691700 
          0.00282829       0.00103689       0.00250284 
          1.78071869       1.79409641       0.16163846 
          0.00355699      -0.00280739       0.00796950 
          0.00290976       0.00521723       0.00189330 
         -1.81738800      -1.79887137       0.15327711 
         -0.35524177      -0.35367921      -0.21946645 
          0.00730258      -0.00323346       0.11527753 
          0.00606572       0.01590933       0.00118713 
          0.34619772       0.35200836      -0.21986559 
          0.03371582       0.04594806      -0.01375565 
          2.32395971      -2.31045986      -0.85952235 
         -2.30359439       2.31112618      -0.85039562 
         -0.01568293      -0.07574321       0.03871927 
          0.00951579       0.00855065      -0.00480421 
          1.67995491      -1.67257972       0.03598220 
         -1.84441331       1.79146581       0.30687731 
         -0.00090168      -0.00799896       0.00931686 
          1.78746877       1.79796947       0.14154725 
          0.00983354      -0.01074365       0.00517882 
          0.01868674      -0.01620963      -0.02980236 
         -1.82214370      -1.81789112       0.14848437 
         -0.35441408      -0.35176060      -0.21988884 
          0.03333236      -0.02845279      -0.00496766 
          0.10322829      -0.15008420      -0.14222946 
          0.34499726       0.34010050      -0.21816714 
          1.61469713      -0.41216232       0.64435046 
          1.76420874      -0.36203015      -0.75350384 
          0.94462762       0.08857427       0.21823672 
          0.91070819       0.21319986       0.21457016 
          0.78136827       0.25522923      -0.01045518 
         -0.00121535       0.00414958      -1.10332254 
          0.22841790      -0.30096949       0.22396939 
         -1.09405424       0.09078177       0.41205813 
          0.37910571      -0.53294385       0.41906100 
          0.24774861       0.12537100       0.11218346 
         -1.36723358       0.07137052       0.48688183 
         -0.88596133       0.02643212       0.32262863 
          0.08731862       0.00675301       0.00965216 
          0.02671277       0.10933198      -0.83523464 
         -1.58126421       0.37105712      -0.31210166 
         -1.97130889       0.21721755       0.31146429 
  
  
        -29.26396299       1.86654014       0.30704120 
          1.86654116     -28.14687910      -0.46194192 
          0.30704139      -0.46194086     -39.79501595 
  
  
     -1964.04710282 
     -1964.08862191 
     -1964.06094251 
  
   1726.62 1726.26
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.5928    1.0000 
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