vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:52:07 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.73000000      1.11000000      0.75000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           13.83534000       0.00000000       0.00000000 
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       4740.99950739 
    
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           0.83296460       0.33020029       0.39370011 
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           0.83296460       0.66353362       0.39370011 
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           0.83301588       0.66447981       0.51059750 
           0.66629794       0.49686696       0.21552698 
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           0.83296460       0.99686696       0.27491802 
           0.66468877       0.82879528       0.46243267 
           0.83296460       0.99686696       0.39370011 
           0.66629794       0.83020029       0.33430907 
           0.83164237       0.99643732       0.50939777 
           0.66629794       0.83020029       0.21552698 
           0.83206575       0.99668929       0.62509828 
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           0.07226460       0.09090029       0.27491802 
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           0.26033127       0.23616696       0.39370011 
           0.07226460       0.09090029       0.39370011 
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           0.07045046       0.09236287       0.64151359 
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           0.23375011       0.39747960       0.57629720 
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           0.26033127       0.56950029       0.39370011 
           0.07226460       0.42423362       0.39370011 
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           0.23893127       0.40283362       0.21552698 
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           0.07226460       0.75756696       0.27491802 
           0.22973342       0.73158913       0.57530633 
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           0.07226460       0.75756696       0.39370011 
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           0.23893127       0.73616696       0.33430907 
           0.09366460       0.92423362       0.21552698 
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           0.07047892       0.75842940       0.64153283 
           0.23893127       0.73616696       0.21552698 
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           0.59366460       0.23616696       0.27491802 
           0.40559794       0.09090029       0.27491802 
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           0.43320159       0.26420332       0.45594672 
           0.59366460       0.23616696       0.39370011 
           0.40559794       0.09090029       0.39370011 
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           0.42699794       0.25756696       0.33430907 
           0.60006724       0.22881363       0.51647739 
           0.39863587       0.09808115       0.51644099 
           0.57226460       0.06950029       0.33430907 
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           0.40352549       0.09259785       0.64107574 
           0.57226460       0.06950029       0.21552698 
           0.43209938       0.59587494       0.58044293 
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           0.40559794       0.42423362       0.27491802 
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           0.43415849       0.59814745       0.45759704 
           0.59366460       0.56950029       0.39370011 
           0.40559794       0.42423362       0.39370011 
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          1        1        1 
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         0.00000000       0.00000000       1.00000000 
         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
     1068
       -1
       -1
      1779.00000000
        0
        0
        0
        0
         0.00000000
   
         1
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          0.50000000
     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
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          4
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          0.40000000
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          4
      F  
        -45
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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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        -3.00000000
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         0.00010000
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        1
      256
        16.00000000
  
  
        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  
        47.88000000     16.00000000     28.08500000     14.00100000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      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
        11.85249877
         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  
  
 
 
       240 
         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
    N    4
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    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                  
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       5C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          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 
   
  
  
          0.00008792       0.16320812       0.59262555 
          0.16629794       0.33020029       0.27491802 
          0.99917891       0.16391080       0.46211978 
          0.16629794       0.33020029       0.39370011 
          0.99963127       0.16353362       0.33430907 
          0.16712487       0.33093739       0.50944122 
          0.99963127       0.16353362       0.21552698 
          0.16730331       0.33070155       0.62520996 
          0.00108826       0.49492239       0.59086253 
          0.16629794       0.66353362       0.27491802 
          0.99941487       0.49731165       0.46198161 
          0.16629794       0.66353362       0.39370011 
          0.99963127       0.49686696       0.33430907 
          0.16558355       0.66385257       0.50945791 
          0.99963127       0.49686696       0.21552698 
          0.16597009       0.66353896       0.62518469 
          0.99811469       0.82918970       0.59264367 
          0.16629794       0.99686696       0.27491802 
          0.99859736       0.83042606       0.46247931 
          0.16629794       0.99686696       0.39370011 
          0.99963127       0.83020029       0.33430907 
          0.16468652       0.99779733       0.50932163 
          0.99963127       0.83020029       0.21552698 
          0.16557346       0.99640460       0.62541664 
          0.33224874       0.16321860       0.59215298 
          0.49963127       0.33020029       0.27491802 
          0.33262343       0.16396856       0.46211802 
          0.49963127       0.33020029       0.39370011 
          0.33296460       0.16353362       0.33430907 
          0.49918298       0.33074841       0.50941193 
          0.33296460       0.16353362       0.21552698 
          0.49948960       0.32955412       0.62528278 
          0.33616685       0.49990188       0.59308078 
          0.49963127       0.66353362       0.27491802 
          0.33372206       0.49851726       0.46278299 
          0.49963127       0.66353362       0.39370011 
          0.33296460       0.49686696       0.33430907 
          0.49870587       0.66347155       0.51331297 
          0.33296460       0.49686696       0.21552698 
          0.50025937       0.66512107       0.63486459 
          0.32910157       0.83336324       0.58908951 
          0.49963127       0.99686696       0.27491802 
          0.33280281       0.83011435       0.46148826 
          0.49963127       0.99686696       0.39370011 
          0.33296460       0.83020029       0.33430907 
          0.49906661       0.99724431       0.50943978 
          0.33296460       0.83020029       0.21552698 
          0.49875554       0.99696833       0.62541657 
          0.66594333       0.16312494       0.59183338 
          0.83296460       0.33020029       0.27491802 
          0.66578201       0.16360604       0.46213504 
          0.83296460       0.33020029       0.39370011 
          0.66629794       0.16353362       0.33430907 
          0.83318555       0.32970381       0.50913001 
          0.66629794       0.16353362       0.21552698 
          0.83324570       0.32899651       0.62507910 
          0.66954318       0.49336539       0.58932996 
          0.83296460       0.66353362       0.27491802 
          0.66594386       0.49817636       0.46164931 
          0.83296460       0.66353362       0.39370011 
          0.66629794       0.49686696       0.33430907 
          0.83301588       0.66447981       0.51059750 
          0.66629794       0.49686696       0.21552698 
          0.83185280       0.66097556       0.62805889 
          0.66217887       0.82937315       0.59182074 
          0.83296460       0.99686696       0.27491802 
          0.66468877       0.82879528       0.46243267 
          0.83296460       0.99686696       0.39370011 
          0.66629794       0.83020029       0.33430907 
          0.83164237       0.99643732       0.50939777 
          0.66629794       0.83020029       0.21552698 
          0.83206575       0.99668929       0.62509828 
          0.09946922       0.26280766       0.57658920 
          0.26033127       0.23616696       0.27491802 
          0.07226460       0.09090029       0.27491802 
          0.23278596       0.06390870       0.57616879 
          0.10050609       0.26418167       0.45625383 
          0.26033127       0.23616696       0.39370011 
          0.07226460       0.09090029       0.39370011 
          0.23164142       0.06318382       0.45606259 
          0.09366460       0.25756696       0.33430907 
          0.26712059       0.22940647       0.51684452 
          0.06507926       0.09787057       0.51693406 
          0.23893127       0.06950029       0.33430907 
          0.09366460       0.25756696       0.21552698 
          0.26135560       0.23415787       0.64102644 
          0.07045046       0.09236287       0.64151359 
          0.23893127       0.06950029       0.21552698 
          0.09975557       0.59582419       0.57601593 
          0.26033127       0.56950029       0.27491802 
          0.07226460       0.42423362       0.27491802 
          0.23375011       0.39747960       0.57629720 
          0.10023108       0.59726692       0.45584752 
          0.26033127       0.56950029       0.39370011 
          0.07226460       0.42423362       0.39370011 
          0.23256155       0.39651288       0.45610132 
          0.09366460       0.59090029       0.33430907 
          0.26735363       0.56330343       0.51705582 
          0.06555824       0.43106658       0.51661941 
          0.23893127       0.40283362       0.33430907 
          0.09366460       0.59090029       0.21552698 
          0.25996408       0.56886676       0.64154286 
          0.07150793       0.42432472       0.64091550 
          0.23893127       0.40283362       0.21552698 
          0.09826778       0.92946285       0.57625430 
          0.26033127       0.90283362       0.27491802 
          0.07226460       0.75756696       0.27491802 
          0.22973342       0.73158913       0.57530633 
          0.09952324       0.93114871       0.45599832 
          0.26033127       0.90283362       0.39370011 
          0.07226460       0.75756696       0.39370011 
          0.23195020       0.72965305       0.45601119 
          0.09366460       0.92423362       0.33430907 
          0.26621366       0.89653643       0.51556722 
          0.06424719       0.76385638       0.51668367 
          0.23893127       0.73616696       0.33430907 
          0.09366460       0.92423362       0.21552698 
          0.25894853       0.90369623       0.64149259 
          0.07047892       0.75842940       0.64153283 
          0.23893127       0.73616696       0.21552698 
          0.43178315       0.26243118       0.57643890 
          0.59366460       0.23616696       0.27491802 
          0.40559794       0.09090029       0.27491802 
          0.56638044       0.06420642       0.57630642 
          0.43320159       0.26420332       0.45594672 
          0.59366460       0.23616696       0.39370011 
          0.40559794       0.09090029       0.39370011 
          0.56561764       0.06272809       0.45592221 
          0.42699794       0.25756696       0.33430907 
          0.60006724       0.22881363       0.51647739 
          0.39863587       0.09808115       0.51644099 
          0.57226460       0.06950029       0.33430907 
          0.42699794       0.25756696       0.21552698 
          0.59446863       0.23377448       0.64088003 
          0.40352549       0.09259785       0.64107574 
          0.57226460       0.06950029       0.21552698 
          0.43209938       0.59587494       0.58044293 
          0.59366460       0.56950029       0.27491802 
          0.40559794       0.42423362       0.27491802 
          0.56723333       0.39366512       0.57549318 
          0.43415849       0.59814745       0.45759704 
          0.59366460       0.56950029       0.39370011 
          0.40559794       0.42423362       0.39370011 
          0.56542713       0.39630791       0.45606779 
          0.42699794       0.59090029       0.33430907 
          0.60086409       0.56208856       0.51694382 
          0.39916586       0.43146468       0.51723569 
          0.57226460       0.40283362       0.33430907 
          0.42699794       0.59090029       0.21552698 
          0.59907147       0.56249706       0.63437749 
          0.40461354       0.42376505       0.64156526 
          0.57226460       0.40283362       0.21552698 
          0.43144575       0.93231384       0.57548734 
          0.59366460       0.90283362       0.27491802 
          0.40559794       0.75756696       0.27491802 
          0.56606278       0.73139459       0.58006603 
          0.43341867       0.93092046       0.45599298 
          0.59366460       0.90283362       0.39370011 
          0.40559794       0.75756696       0.39370011 
          0.56478638       0.72872603       0.45779256 
          0.42699794       0.92423362       0.33430907 
          0.59983465       0.89594260       0.51678144 
          0.39793005       0.76464634       0.51662843 
          0.57226460       0.73616696       0.33430907 
          0.42699794       0.92423362       0.21552698 
          0.59352389       0.90429476       0.64168775 
          0.39783095       0.76197352       0.63419152 
          0.57226460       0.73616696       0.21552698 
          0.76567730       0.26212506       0.57587931 
          0.92699794       0.23616696       0.27491802 
          0.73893127       0.09090029       0.27491802 
          0.90024167       0.06393718       0.57661504 
          0.76718556       0.26362983       0.45581977 
          0.92699794       0.23616696       0.39370011 
          0.73893127       0.09090029       0.39370011 
          0.89896910       0.06266181       0.45622420 
          0.76033127       0.25756696       0.33430907 
          0.93373799       0.22917812       0.51663859 
          0.73166284       0.09770243       0.51676352 
          0.90559794       0.06950029       0.33430907 
          0.76033127       0.25756696       0.21552698 
          0.92867985       0.23385194       0.64142947 
          0.73747588       0.09243125       0.64083528 
          0.90559794       0.06950029       0.21552698 
          0.76855319       0.59487144       0.57668239 
          0.92699794       0.56950029       0.27491802 
          0.73893127       0.42423362       0.27491802 
          0.90045288       0.39594451       0.57573383 
          0.76720178       0.59806905       0.45670573 
          0.92699794       0.56950029       0.39370011 
          0.73893127       0.42423362       0.39370011 
          0.89930748       0.39583064       0.45590757 
          0.76033127       0.59090029       0.33430907 
          0.93429168       0.56269168       0.51646611 
          0.73256767       0.43028528       0.51552866 
          0.90559794       0.40283362       0.33430907 
          0.76033127       0.59090029       0.21552698 
          0.93109167       0.56630251       0.63887945 
          0.74035101       0.42188713       0.64166872 
          0.90559794       0.40283362       0.21552698 
          0.76523740       0.93100738       0.57594739 
          0.92699794       0.90283362       0.27491802 
          0.73893127       0.75756696       0.27491802 
          0.90022301       0.73041805       0.57843614 
          0.76653782       0.93060052       0.45606847 
          0.92699794       0.90283362       0.39370011 
          0.73893127       0.75756696       0.39370011 
          0.89864771       0.72967471       0.45636551 
          0.76033127       0.92423362       0.33430907 
          0.93306912       0.89558774       0.51715866 
          0.73175023       0.76410434       0.51707162 
          0.90559794       0.73616696       0.33430907 
          0.76033127       0.92423362       0.21552698 
          0.92762833       0.90187682       0.64147925 
          0.73745120       0.76121605       0.63863874 
          0.90559794       0.73616696       0.21552698 
          0.50757103       0.67088255       0.70897883 
          0.46534976       0.68990669       0.79314608 
          0.74157491       0.65072690       0.75104631 
          0.36731246       0.60241060       0.79399244 
          0.53129386       0.67230836       0.85432267 
          0.42427059       0.81613873       0.78627237 
          0.80237828       0.72609259       0.76353561 
          0.76109350       0.55705455       0.76892317 
          0.33050649       0.60540807       0.75660029 
          0.39080850       0.52813381       0.80090479 
          0.31770715       0.61863429       0.82484582 
          0.55820971       0.59935377       0.85793271 
          0.58892790       0.72359767       0.85598794 
          0.48743637       0.68275881       0.88781752 
          0.37891220       0.83098820       0.81732962 
          0.47951760       0.86764486       0.78652247 
          0.38814331       0.82803066       0.75053245 
          0.81110599       0.73370781       0.80063501 
          0.86081862       0.70774160       0.74762513 
          0.78407714       0.79539738       0.75079349 
          0.71261446       0.50367370       0.75944226 
          0.81945758       0.53255437       0.75339013 
          0.76852747       0.56213550       0.80651115 
          0.67651096       0.65534104       0.72080289 
  
  
     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 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      45.42   45.42
      48.33   48.34
   
       3562.86108064 
     621740.16785138 
    -782651.42085513 
       8570.24437845 
     142168.17908458 
    -141005.46113447 
         -0.02783891 
      -6053.41780460 
     178322.42096012 
      24653.54572207 
      24653.57356097 
      24653.55500170 
   
  
  
      49.23   49.22
      49.23   49.22
   
       2259.61399841 
       2259.64814328 
       2259.62538003 
   
  
  
      50.92   50.92
      50.93   50.92
   
      -2168.06221490 
      -2168.00579595 
      -2168.04340858 
   
  
  
      60.14   60.12
      60.14   60.12
   
      -2605.90376961 
      -2605.84735066 
      -2605.88496329 
   
  
  
      66.29   66.28
      66.64   66.63
   
      -2666.28499736 
      -2666.22857840 
      -2666.26619104 
   
  
  
      57.19   57.18
      58.66   58.66
   
      -2047.89902728 
      -2047.97586404 
      -2047.92463954 
   
  
  
      57.22   57.21
      59.47   59.47
   
      -2034.67451983 
      -2034.66869576 
      -2034.67257848 
   
  
  
      60.64   60.63
      62.36   62.35
   
      -2006.49892651 
      -2006.53903785 
      -2006.51229696 
   
  
  
      59.17   59.16
      60.82   60.81
   
      -2006.83040450 
      -2006.85935597 
      -2006.84005499 
   
  
  
      59.57   59.56
      61.06   61.05
   
      -2005.22937802 
      -2005.26642558 
      -2005.24172721 
   
  
  
      58.37   58.35
      59.96   59.95
   
      -2004.87789430 
      -2004.91185593 
      -2004.88921484 
   
  
  
      55.34   55.33
      57.52   57.52
   
      -2004.92799500 
      -2004.97898446 
      -2004.94499149 
   
  
  
      59.12   59.11
      60.74   60.73
   
      -2004.84412550 
      -2004.89101417 
      -2004.85975505 
   
  
  
      59.41   59.40
      60.92   60.91
   
      -2004.86156661 
      -2004.91666278 
      -2004.87993200 
   
  
  
      57.56   57.55
      59.15   59.14
   
      -2004.80882813 
      -2004.84912959 
      -2004.82226195 
   
  
  
      57.87   57.86
      59.40   59.39
   
      -2004.81754635 
      -2004.86587289 
      -2004.83365520 
   
  
  
      58.16   58.14
      59.67   59.66
   
      -2004.79973160 
      -2004.84378873 
      -2004.81441731 
   
  
  
      57.30   57.30
      58.84   58.85
   
      -2004.79912853 
      -2004.83688143 
      -2004.81171283 
   
  
  
      55.31   55.31
      56.87   56.87
   
      -2004.80427230 
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      -2004.81742918 
   
  
  
      52.72   52.72
      54.27   54.27
   
      -2004.80644682 
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      -2004.81897352 
   
  
  
      54.97   54.96
      56.56   56.56
   
      -2004.80909681 
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      53.05   53.04
      54.57   54.57
   
      -2004.81135511 
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      -2004.82397637 
   
  
  
      51.38   51.38
      53.10   53.10
   
      -2004.81401045 
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      48.67   48.66
      50.49   50.49
   
      -2004.81650496 
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      47.72   47.71
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      -2004.81819834 
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      43.75   43.75
      45.88   45.89
   
      -2004.81921527 
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      43.55   43.54
      45.36   45.36
   
      -2004.81985158 
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      -2004.83247709 
   
  
  
      40.33   40.32
      42.73   42.72
   
      -2004.82027399 
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      36.33   36.32
      38.05   38.05
   
      -2004.82047544 
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      33.29   33.28
      34.87   34.87
   
      -2004.82054070 
      -2004.85839754 
      -2004.83315965 
   
  
  
      34.16   34.16
      35.83   35.84
   
      -2004.82057929 
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      -2004.83319647 
   
  
  
      35.68   35.67
      37.39   37.38
   
      -2004.82061964 
      -2004.85846740 
      -2004.83323556 
   
  
  
      33.85   33.84
      36.21   36.21
   
      -2004.82063693 
      -2004.85848480 
      -2004.83325289 
   
  
  
      33.36   33.36
      35.08   35.08
   
      -2004.82064704 
      -2004.85849919 
      -2004.83326442 
   
  
  
      30.28   30.28
      31.39   31.39
   
       3562.86108064 
     621740.16785138 
    -785260.18625490 
       8639.84073443 
     203039.79415244 
    -201668.54403524 
          0.03785031 
     -30381.21299066 
     178322.42096012 
      -2004.82065148 
      -2004.85850179 
      -2004.83326825 
   
  
  
   
    
           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 
    
   
   
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           0.76033127       0.59090029       0.33430907 
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           0.73256767       0.43028528       0.51552866 
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           0.93109167       0.56630251       0.63887945 
           0.74035101       0.42188713       0.64166872 
           0.90559794       0.40283362       0.21552698 
           0.76523740       0.93100738       0.57594739 
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           0.73893127       0.75756696       0.27491802 
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           0.92699794       0.90283362       0.39370011 
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           0.36731246       0.60241060       0.79399244 
           0.53129386       0.67230836       0.85432267 
           0.42427059       0.81613873       0.78627237 
           0.80237828       0.72609259       0.76353561 
           0.76109350       0.55705455       0.76892317 
           0.33050649       0.60540807       0.75660029 
           0.39080850       0.52813381       0.80090479 
           0.31770715       0.61863429       0.82484582 
           0.55820971       0.59935377       0.85793271 
           0.58892790       0.72359767       0.85598794 
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           0.81110599       0.73370781       0.80063501 
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           0.78407714       0.79539738       0.75079349 
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           0.76852747       0.56213550       0.80651115 
           0.67651096       0.65534104       0.72080289 
   
  
  
          0.01552275      -0.00193844      -0.07301811 
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          0.00238114      -0.00046338      -0.02107846 
         -0.00790085       0.02844714      -0.93623773 
          0.00881595      -0.01785710       1.39233343 
          0.03474935      -0.02726133      -0.06388940 
         -0.00188717      -0.00153060       3.32010861 
          0.05567019      -0.05613328      -0.08932646 
          0.20017716      -0.20353913      -0.24026188 
         -0.00617066      -0.00287621      -2.34591456 
          0.01281541      -0.02419513      -0.07675361 
         -0.03246519       0.01467294      -1.01594118 
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          0.07048323      -0.00661437      -0.06580047 
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          0.12442977       0.02766466      -0.06934782 
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         -0.01120870      -0.00401187      -2.35252384 
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         -0.00314483      -0.00419329      -2.38045441 
          0.02585730       0.01297129       0.00643742 
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         -0.04922608       0.00245708       0.03409771 
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         -0.10796418       0.01907858       1.67611055 
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         -0.00186217       0.02627262      -1.00608694 
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         -0.05897212      -0.01027834      -0.13806414 
         -0.02960447       0.03043944      -0.08855299 
          0.00470562      -0.00371476      -2.34837727 
         -0.01698828       0.01485623      -0.01602625 
         -0.03451785       0.01623188      -1.06138697 
          0.00871222      -0.00736201       1.41828894 
         -0.00184495      -0.02421804      -0.07531543 
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         -0.02816927      -0.01804184      -0.03142560 
         -0.30722452      -0.04979174       0.08968749 
          0.01791583       0.00652763      -2.36665971 
         -0.05742736      -0.01970706       0.00017183 
         -0.01812601       0.04618077      -0.86103884 
          0.01935952      -0.07196694       1.31440046 
         -0.01065515       0.01095495      -0.29708455 
         -0.00555655      -0.00918842       3.32868284 
         -0.09595889       0.19706994      -0.98875363 
         -0.31265633       0.03460749      -0.23986129 
          0.00860816      -0.00295518      -2.35315636 
         -0.04766695      -0.00096099      -0.05908798 
         -0.02423383       0.01431907      -0.94846018 
          0.02579495       0.04825649       1.41225189 
         -0.00544897       0.02098876      -0.08506613 
         -0.00411674       0.00465668       3.33282872 
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         -0.00695625       0.02776719       0.03239328 
          2.31424343      -2.31130064      -0.85685441 
         -2.31021886       2.32079685      -0.85484607 
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         -0.00380575       0.01260616       0.02542931 
          1.75348330      -1.75638198       0.18823725 
         -1.75484116       1.76363875       0.16312425 
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          1.80420466       1.80999523       0.17520068 
         -0.02518132       0.00522958       0.02750029 
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         -1.82278565      -1.82002465       0.17551588 
         -0.35693950      -0.35223151      -0.25163350 
         -0.00627988       0.03081682       0.03742855 
         -0.01584747       0.01804713       0.02852949 
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         -0.09428126      -0.06672106       0.03031499 
          2.31674657      -2.31096890      -0.86269017 
         -2.31076703       2.30492319      -0.85326776 
         -0.02070856      -0.03022920       0.04087114 
         -0.01997322      -0.01164751       0.03781509 
          1.79069618      -1.72971369       0.20974266 
         -1.74333624       1.73264434       0.17136320 
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          1.78981866       1.80247272       0.15672239 
         -0.04577270       0.02255511       0.00726760 
         -0.03550219       0.02130643       0.07908910 
         -1.81765196      -1.80284703       0.16606002 
         -0.35455999      -0.34422256      -0.25644127 
         -0.05818988       0.03483621       0.07960778 
         -0.08715662       0.07662002      -0.01816085 
          0.34671848       0.36116381      -0.25290112 
         -0.06025278      -0.05502142       0.02976640 
          2.32312170      -2.31124713      -0.84664421 
         -2.30976819       2.30898430      -0.86066282 
         -0.06897643      -0.05400609       0.03585487 
         -0.02188678      -0.01735092       0.02234532 
          1.77536212      -1.77049188       0.19139594 
         -1.75301667       1.73300643       0.16826700 
         -0.01302590      -0.02858262       0.03709035 
          1.80559232       1.80015931       0.16537887 
         -0.03414271       0.01289465      -0.02189838 
         -0.02553024       0.00391590       0.04880696 
         -1.79144721      -1.79137678       0.16392481 
         -0.35582498      -0.36149415      -0.25422921 
         -0.08004453       0.09344534       0.08595146 
         -0.07337099       0.01246202       0.00797200 
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          2.30428230      -2.30953496      -0.85776503 
         -2.30516535       2.31568890      -0.85479849 
         -0.00168828       0.01395885       0.03322000 
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          1.76225408      -1.77052685       0.19936702 
         -1.75505697       1.75110462       0.17487904 
         -0.00646017       0.01383722       0.02950970 
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         -0.00066218      -0.00813696       0.02422462 
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         -1.80674894      -1.81391183       0.16451940 
         -0.35520202      -0.35164840      -0.25223729 
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         -0.13092606      -0.16231956      -0.12314786 
          2.30600773      -2.30817952      -0.85258595 
         -2.30382196       2.30474662      -0.86225133 
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          0.01244495      -0.01005060      -0.00200497 
          1.76492162      -1.74063197       0.28216293 
         -1.69534179       1.74723498       0.16009480 
         -0.00579522      -0.00748932       0.02740162 
          1.85632398       1.86626315       0.22504213 
          0.04109858       0.00435651       0.00152358 
         -0.00244934      -0.02143155       0.00882282 
         -1.78157401      -1.77546353       0.16717461 
         -0.35242201      -0.33965388      -0.25195053 
          0.32579827      -0.23110328      -0.24241305 
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          0.06559066       0.06102800       0.04163975 
          2.30920720      -2.31138174      -0.85270915 
         -2.29933373       2.30806783      -0.85559408 
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          0.03415433       0.01347258       0.02922866 
          1.73736451      -1.80769135       0.21322487 
         -1.71241633       1.71632503       0.23049441 
          0.02387045       0.01214271      -0.00179949 
          1.78786507       1.77665089       0.16792740 
          0.01806339      -0.01494437       0.05004530 
         -0.00536720       0.00519983      -0.02780302 
         -1.84460612      -1.85502505       0.23194364 
         -0.35837168      -0.36399407      -0.25542240 
          0.05851328      -0.01112121       0.01531628 
         -0.28773225       0.28587669      -0.27466195 
          0.35119439       0.34638084      -0.25450056 
         -0.00250304       0.01583597       0.03012464 
          2.30938008      -2.31285989      -0.85402368 
         -2.31723328       2.31483016      -0.85783251 
         -0.01485337       0.00043573       0.02748276 
         -0.00507778       0.01463034       0.03531496 
          1.78948016      -1.79061290       0.20810647 
         -1.74171617       1.72899279       0.16010246 
         -0.01457988       0.00370245       0.03358957 
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         -0.34700646      -0.35139609      -0.25209083 
         -0.00761211       0.02474853       0.02876636 
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          0.32158119       0.31991719       0.26545884 
          2.30287807      -2.31038023      -0.85570816 
         -2.32587110       2.31283584      -0.84465329 
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          1.73535164      -1.75537930       0.23885653 
         -1.75632563       1.76822797       0.17054621 
          0.00305742       0.00483874       0.03270009 
          1.81351371       1.81919250       0.20371508 
         -0.02283842       0.05215188       0.08745926 
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         -1.79628588      -1.79786971       0.17062130 
         -0.34829668      -0.34600900      -0.25455948 
         -0.39329545       0.32881842       0.46992374 
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         -0.01644936      -0.03466836       0.04165188 
          2.30362570      -2.30317577      -0.86045094 
         -2.32099132       2.30964963      -0.85765586 
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         -0.00975697      -0.01140202       0.03437074 
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         -1.77424783       1.69779262       0.21839660 
         -0.03823761      -0.03870104       0.07687728 
          1.80297222       1.78228191       0.16612261 
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          0.06675210      -0.02875960       0.07716521 
         -1.82241514      -1.83252675       0.19030678 
         -0.34922411      -0.36431517      -0.25436890 
          0.00407031      -0.05266309       0.00592449 
          0.39974541      -0.39388173       0.37213418 
          0.35694525       0.34749674      -0.25429093 
         -0.02999260       0.17807509       2.49698595 
         -0.83913160       0.21127677      -4.24016645 
         -6.88150732      -0.45737370      -4.78308149 
          0.84798155      -0.76767228      -0.38050994 
          2.18504521      -0.64942192      -1.02772781 
          1.82199477      -1.72292229      -0.55892841 
         -5.54271245       0.94024956      -3.65917709 
         -3.50879541       2.19538211      -3.41106610 
         -0.77656884      -0.11432251      -1.30245014 
          0.20823401      -0.24097318      -0.06912625 
         -1.17339384       0.49410634       1.40364016 
          0.49764610      -0.56970150       0.02324325 
          1.05498383       0.51962492       0.34164799 
         -1.67547771       0.52129769       1.66047059 
         -2.19821721       0.75567347       2.76966070 
          1.69677688       1.22047728       0.20061628 
         -1.41001986       0.10612671      -2.35773843 
          1.19632885       0.63469375       8.85042572 
          8.15688403      -1.41602236      -3.27109299 
         -1.03636083       1.63264657      -1.26376839 
         -2.53144485      -1.44628858      -0.74176421 
          6.32271116      -2.41988191      -2.67856067 
          0.98350852      -0.06757754       8.34092940 
          2.80936740       0.34193582       2.49282967 
  
  
        -21.29276066       1.47518558      -0.36669174 
          1.47518514     -24.94688750       0.84949894 
         -0.36669267       0.84949919     -36.29126838 
  
  
     -2004.82065148 
     -2004.85850179 
     -2004.83326825 
  
   1864.06 1863.92
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.5433    1.0000 
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