vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 15 
  20:50:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       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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         253 
         254 
         255 
         256 
         257 
         258 
         259 
         260 
         261 
         262 
         263 
         264 
         265 
         266 
         267 
         268 
         269 
         270 
         271 
         272 
         273 
         274 
         275 
         276 
         277 
         278 
         279 
         280 
         281 
         282 
         283 
         284 
         285 
         286 
         287 
         288 
         289 
         290 
         291 
         292 
         293 
         294 
         295 
         296 
         297 
         298 
         299 
         300 
         301 
         302 
         303 
         304 
         305 
         306 
         307 
         308 
         309 
         310 
         311 
         312 
         313 
         314 
         315 
         316 
         317 
         318 
         319 
         320 
         321 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      753
       -1
       -1
      1184.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -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
   
  
  
       80
      140
       80
      160
      280
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000      0.77000000
      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  
        28.08500000     16.00000000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        13.50293501
         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
      200
        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  
  
 
 
       321 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     193Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      52O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      68H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          15.46772000       0.00000000       0.00000000 
           0.00000000      28.46772000       0.00000000 
           0.00000000       0.00000000      16.40601000 
   
      7224.07022841 
   
           0.06465077       0.00000000       0.00000000 
           0.00000000       0.03512751       0.00000000 
           0.00000000       0.00000000       0.06095327 
   
  
  
          0.99794753       0.36776178       0.26955514 
          0.99794753       0.43567959       0.18622180 
          0.12294753       0.36776178       0.35288847 
          0.12294753       0.43567959       0.10288847 
          0.99923338       0.64029971       0.26661594 
          0.99975774       0.16210753       0.18676089 
          0.12403638       0.64173731       0.34994839 
          0.12475642       0.16211611       0.10221119 
          0.99802444       0.23165240       0.26859819 
          0.99740534       0.57112654       0.18579665 
          0.12304731       0.23172951       0.35352812 
          0.12275016       0.57152772       0.10159779 
          0.99794753       0.50359739       0.26955514 
          0.99794753       0.29984398       0.18622180 
          0.12294753       0.50359739       0.35288847 
          0.12294753       0.29984398       0.10288847 
          0.99794753       0.36776178       0.60288847 
          0.99794753       0.43567959       0.51955514 
          0.12294753       0.36776178       0.68622180 
          0.12294753       0.43567959       0.43622180 
          0.00191772       0.64131455       0.60223043 
          0.00003094       0.16218880       0.51999022 
          0.12589558       0.64106703       0.68783094 
          0.12501518       0.16222851       0.43544838 
          0.99798421       0.23164724       0.60198368 
          0.49791511       0.57207542       0.52047391 
          0.12296833       0.23167256       0.68697447 
          0.12351599       0.57276816       0.43476443 
          0.99794753       0.50359739       0.60288847 
          0.99794753       0.29984398       0.51955514 
          0.12294753       0.50359739       0.68622180 
          0.12294753       0.29984398       0.43622180 
          0.99794753       0.36776178       0.93622180 
          0.99794753       0.43567959       0.85288847 
          0.12294753       0.36776178       0.01955514 
          0.12294753       0.43567959       0.76955514 
          0.99988715       0.64101393       0.93546854 
          0.99997475       0.16220635       0.85338464 
          0.12478139       0.64109634       0.02004439 
          0.12500741       0.16218197       0.76885965 
          0.99801148       0.23165721       0.93542382 
          0.49913017       0.57144968       0.85445679 
          0.12299008       0.23166880       0.02038697 
          0.12354268       0.57153957       0.76909479 
          0.99794753       0.50359739       0.93622180 
          0.99794753       0.29984398       0.85288847 
          0.12294753       0.50359739       0.01955514 
          0.12294753       0.29984398       0.76955514 
          0.24794753       0.36776178       0.26955514 
          0.24794753       0.43567959       0.18622180 
          0.37294753       0.36776178       0.35288847 
          0.37294753       0.43567959       0.10288847 
          0.24935125       0.64044820       0.26654888 
          0.24975490       0.16211195       0.18675366 
          0.37323842       0.64095228       0.35210142 
          0.37475788       0.16211716       0.10220930 
          0.24803795       0.23165192       0.26860341 
          0.24796078       0.57117840       0.18581591 
          0.37304970       0.23172881       0.35353154 
          0.37321720       0.57153215       0.10185072 
          0.24794753       0.50359739       0.26955514 
          0.24794753       0.29984398       0.18622180 
          0.37294753       0.50359739       0.35288847 
          0.37294753       0.29984398       0.10288847 
          0.24794753       0.36776178       0.60288847 
          0.24794753       0.43567959       0.51955514 
          0.37294753       0.36776178       0.68622180 
          0.37294753       0.43567959       0.43622180 
          0.25247968       0.64187515       0.60582782 
          0.25004488       0.16221992       0.52000284 
          0.37633659       0.63956225       0.69057918 
          0.37501656       0.16222862       0.43544011 
          0.24799225       0.23166441       0.60203986 
          0.24817454       0.57289583       0.52084045 
          0.37301379       0.23166265       0.68698121 
          0.37292467       0.57190248       0.43531336 
          0.24794753       0.50359739       0.60288847 
          0.24794753       0.29984398       0.51955514 
          0.37294753       0.50359739       0.68622180 
          0.37294753       0.29984398       0.43622180 
          0.24794753       0.36776178       0.93622180 
          0.24794753       0.43567959       0.85288847 
          0.37294753       0.36776178       0.01955514 
          0.37294753       0.43567959       0.76955514 
          0.25005475       0.64101011       0.93608496 
          0.24998840       0.16222397       0.85339821 
          0.37533169       0.64106338       0.02022663 
          0.37500799       0.16215891       0.76883601 
          0.24801073       0.23166477       0.93547286 
          0.24824987       0.57155086       0.85418101 
          0.37301289       0.23167066       0.02038625 
          0.37405362       0.57055213       0.77084789 
          0.24794753       0.50359739       0.93622180 
          0.24794753       0.29984398       0.85288847 
          0.37294753       0.50359739       0.01955514 
          0.37294753       0.29984398       0.76955514 
          0.49794753       0.36776178       0.26955514 
          0.49794753       0.43567959       0.18622180 
          0.62294753       0.36776178       0.35288847 
          0.62294753       0.43567959       0.10288847 
          0.49939618       0.64125116       0.26899251 
          0.49975923       0.16211313       0.18674595 
          0.62485647       0.64094487       0.35285521 
          0.62476282       0.16211389       0.10220575 
          0.49802444       0.23165240       0.26859819 
          0.49795874       0.57171131       0.18710013 
          0.62304731       0.23172951       0.35352812 
          0.62307290       0.57156905       0.10235078 
          0.49794753       0.50359739       0.26955514 
          0.49794753       0.29984398       0.18622180 
          0.62294753       0.50359739       0.35288847 
          0.62294753       0.29984398       0.10288847 
          0.49794753       0.36776178       0.60288847 
          0.49794753       0.43567959       0.51955514 
          0.62294753       0.36776178       0.68622180 
          0.62294753       0.43567959       0.43622180 
          0.49958808       0.64117322       0.60393464 
          0.50004441       0.16219394       0.51999642 
          0.62576228       0.64095993       0.68677149 
          0.62502403       0.16223898       0.43545356 
          0.49798421       0.23164724       0.60198368 
          0.99872768       0.57184843       0.52016570 
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          0.17858905       0.82465530       0.48733333 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      35.81   35.82
      41.89   41.89
   
        517.66239122 
      37305.89088114 
     -79229.33341865 
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       5834.64248589 
   
  
  
      40.37   40.38
      40.40   40.40
   
       -905.01890839 
       -905.05173256 
       -905.02984978 
   
  
  
      40.47   40.47
      40.48   40.48
   
      -1823.35529211 
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      40.95   40.95
      40.96   40.95
   
      -1865.15618961 
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      40.75   40.74
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      41.30   41.29
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      -1762.22240638 
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      34.63   34.62
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      40.66   40.65
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      37.77   37.76
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      36.36   36.36
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      41.51   41.52
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      36.51   36.50
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      44.21   44.20
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      39.25   39.24
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      39.02   39.01
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      36.18   36.17
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      38.95   38.93
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      36.86   36.85
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      38.16   38.16
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      36.23   36.21
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      -1757.04190629 
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      19.15   19.14
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          0.00376337       0.00791890       0.00301824 
         -0.00086315      -0.00376829       0.00890207 
          0.00249184       0.01244359       0.00069202 
          0.00160061       0.01175861       0.00390192 
          0.00978897       0.01903611      -0.01304112 
         -0.00521019       0.01215419      -0.02900910 
          0.00146257      -0.03644979      -0.02402162 
          0.00661359       0.01544153       0.02399614 
         -0.00256519      -0.01174776       0.00935433 
         -0.00449801       0.01008220      -0.00523806 
         -0.01418410      -0.00920790      -0.00585139 
         -0.00027587       0.01138772       0.00713631 
          0.00738883       0.00519120      -0.00103401 
          0.00244304      -0.00251836      -0.00330183 
         -0.00925478       0.00258677       0.00330076 
         -0.00348185       0.00264998      -0.00743008 
         -0.00103589       0.01166133      -0.00205627 
          0.00786995       0.01043214      -0.00998462 
         -0.00620134       0.00134160      -0.00374944 
          0.00024583      -0.00734260       0.00856738 
          0.00123993      -0.04491411       0.03622861 
         -0.00259991       0.00608447      -0.01779133 
         -0.01630891      -0.06788880      -0.07097968 
         -0.00307023       0.01021006       0.01858814 
         -0.01364020      -0.01194428       0.00457658 
          0.00699321       0.00818594       0.00568273 
         -0.00306290      -0.01148335      -0.00984738 
          0.00027295       0.00464636       0.00702672 
         -0.02082883       0.01720061      -0.00399252 
          0.00955000       0.00020552      -0.00083883 
          0.10472494      -0.10582545       0.02105233 
          0.00361435       0.00210351      -0.00527796 
         -0.01038657       0.00352877       0.00474235 
          0.01144785      -0.01731065       0.00499978 
         -0.00433563       0.00056249       0.00293328 
          0.00801522       0.00109730      -0.00572765 
         -0.02059684      -0.05102957       0.00829332 
          0.00684630       0.01417341      -0.02313525 
         -0.02212971       0.00394255      -0.00387024 
         -0.00293368       0.01047457       0.02523274 
          0.00183404      -0.00500240       0.01989719 
          0.00304379       0.03035265      -0.04610312 
          0.00239964      -0.01305572       0.00320280 
          0.01102743       0.00977745       0.00205886 
         -0.05135751      -0.32489429       0.27337550 
         -0.00170418      -0.00388080       0.00868252 
          0.08668184      -0.07891472       0.03915493 
          0.00159309       0.00403485       0.00240305 
          0.00305852       0.01169076       0.00428760 
          0.00366450       0.02078382      -0.03464366 
         -0.00049540       0.01252189       0.00260235 
          0.02440606       0.00002273       0.01248723 
         -0.00197550       0.17864609      -0.00003391 
         -0.00437274       0.01546957      -0.03739043 
          0.01560884      -0.09867824      -0.01114272 
          0.00970251       0.01449179       0.02069577 
         -0.00393610      -0.00988020       0.01001830 
          0.00542312       0.00932208      -0.00622144 
         -0.01233296      -0.01005991      -0.00625455 
         -0.00448601      -0.00394055      -0.01670628 
         -0.00224899       0.00322478      -0.00128992 
          0.00116669      -0.00536051      -0.00342021 
         -0.00130403       0.00189234       0.00514503 
         -0.00374824       0.00610262      -0.00468349 
         -0.00098005       0.01199320      -0.00822293 
          0.01314819      -0.00814016       0.01347134 
         -0.00665505       0.00098598      -0.00413505 
         -0.03326550       0.00235010      -0.00202912 
         -0.02507914      -0.06233646       0.08044529 
         -0.00092271       0.00363548      -0.01645981 
          0.00541833      -0.04872768      -0.05929123 
         -0.00404856       0.00728088       0.01300576 
         -0.01468101      -0.00993421       0.01276726 
          0.00352794       0.00947437      -0.00600821 
         -0.00006803      -0.00947018      -0.01253409 
          0.01081267       0.01125982       0.00957415 
         -0.01186771       0.01339346       0.00550451 
          0.00923078       0.00119022      -0.00155060 
         -0.05528354      -0.11623233      -0.02609757 
          0.00530832       0.00338361      -0.00383932 
         -0.00791681       0.00457778       0.00730315 
          0.01007324      -0.00461713      -0.00147730 
         -0.00303077       0.00196165       0.00165804 
          0.00146937      -0.00636305      -0.00110727 
         -0.01532106      -0.01989395       0.03848092 
          0.00673944       0.01609497      -0.02694860 
         -0.00296076       0.00327449      -0.01981817 
         -0.00312494       0.00990437       0.02497384 
          0.00095662      -0.01328564      -0.00245654 
         -0.00394711       0.01183813      -0.00335316 
         -0.00188642      -0.00942605      -0.00750148 
          0.00701088       0.01045632       0.00891986 
         -0.28489351       0.17426983      -0.13927565 
         -0.00136462       0.00087400       0.00849765 
          0.01332544      -0.00628342      -0.00228644 
          0.00104975       0.00385646       0.00215370 
          0.00321318       0.00913994       0.00252933 
          0.00227540      -0.00749565      -0.00613764 
          0.00327543       0.01013848       0.00051636 
         -0.00729723      -0.01939499       0.00515568 
          0.00451083       0.03258750      -0.01907573 
         -0.00425898       0.01329374      -0.02792076 
         -0.00543128      -0.04599578      -0.03616592 
          0.00695274       0.01391453       0.02216974 
         -0.00400621      -0.01077460       0.00929510 
          0.00536793       0.01117821      -0.00758775 
         -0.01461200      -0.01084627      -0.00543030 
         -0.00015958       0.00593221       0.00312732 
         -0.00727245      -0.01138297       0.01341872 
          0.00146779      -0.00037302      -0.00436469 
          0.00853901      -0.00037873       0.00612094 
         -0.00314802       0.00975607      -0.00218913 
         -0.00076966       0.01235971      -0.00251979 
         -0.00119069       0.00468349       0.00147010 
         -0.00654942       0.00105749      -0.00439442 
         -0.01085124      -0.01324896       0.00462443 
          0.03810413      -0.10201991       0.09928314 
         -0.00164953       0.00647146      -0.01797495 
         -0.02528023      -0.04424322      -0.02145182 
         -0.00437209       0.01121052       0.01836498 
         -0.01300230      -0.00969177       0.01091581 
          0.00390793       0.00498486      -0.00137336 
          0.00006076      -0.01245216      -0.00923216 
          0.00066337       0.00876178       0.01050031 
          0.00532575       0.03259609       0.00153524 
          0.00991225       0.00013107      -0.00077234 
          0.00687573       0.01371782       0.01462492 
          0.00572891       0.00184799      -0.00474251 
         -0.01041683       0.00441629       0.00564102 
          0.00065542      -0.00257296       0.01424783 
         -0.00321827      -0.00085727       0.00289613 
          0.00686388       0.00556909       0.00099681 
         -0.00925243      -0.03323260       0.03487186 
          0.00704357       0.01554226      -0.02575621 
          0.00438868      -0.02276154      -0.02454726 
         -0.00257336       0.01076491       0.02586236 
          0.00010349      -0.01131110      -0.00080491 
         -0.00144363       0.00990351      -0.00726019 
         -0.00229449      -0.01055796      -0.00860486 
          0.00695373       0.00952932       0.00362638 
         -0.00671822      -0.01846212       0.01555937 
         -0.00096970      -0.00023650       0.00781911 
         -0.00375754       0.00347571       0.00103477 
          0.00201533       0.00299157       0.00140624 
          0.00228837       0.00609714       0.00059856 
         -0.00090019      -0.00197166      -0.00883394 
         -0.00156059       0.01268476       0.00020080 
          0.00998016      -0.00426892       0.00367927 
         -0.00231766      -0.02231496       0.01141512 
         -0.00340977       0.01248350      -0.02840451 
          0.00328730      -0.02706664      -0.03725194 
          0.00713731       0.01469290       0.02114752 
         -0.00279576      -0.00965704       0.00890250 
         -0.00850878       0.01084337      -0.00482005 
         -0.01360342      -0.01038633      -0.00653923 
         -0.00098135       0.01044502       0.00657797 
          0.00718264      -0.00769189       0.00345673 
          0.00087415      -0.00058006      -0.00604503 
         -0.01040139       0.00519602       0.00095032 
         -0.00242289       0.00695549      -0.00458136 
         -0.00037246       0.01182349      -0.00837214 
          0.01447104       0.00371453       0.00611677 
         -0.00648275       0.00107064      -0.00423225 
         -0.01358699      -0.00288577       0.00913139 
          0.01121387      -0.04279734       0.02570561 
         -0.00205763       0.00301650      -0.01594814 
         -0.04474836      -0.06629351      -0.08326927 
         -0.00255646       0.00961383       0.01898566 
         -0.74386866       7.50608175       0.84692915 
          0.00175221       0.00391375       0.00086505 
          0.00454836       0.00612653       0.00507762 
          0.00203882       0.00949333      -0.00602369 
          0.00540720       0.00563399       0.00061178 
          0.00443066       0.00783315      -0.00266875 
          0.00072214       0.01512119       0.00436044 
          0.00242421       0.00295802       0.00145642 
          0.00602013       0.00394700       0.00426693 
          0.00500217       0.01198328      -0.00671670 
          0.00548323      -0.00062817      -0.00008865 
          0.00609654       0.01000757      -0.00282702 
          0.00306842       0.00966831       0.00271952 
          0.00807607       0.00047474       0.00688376 
          0.04720538       0.04939455       0.03688190 
          0.01318545      -0.00607773      -0.00227345 
          0.02571036      -0.01868110      -0.02809791 
          0.00927686      -0.01216636       0.00085691 
          0.00663061      -0.00063437       0.00390868 
          0.01110568       0.00303478       0.01212718 
         -0.24787454       0.46724588       0.25280197 
         -0.00166939       0.76617855      -0.03146988 
         -0.01950438       0.03162633      -0.01577244 
          0.00761597      -0.01443700      -0.00038746 
          0.00602733       0.00384708       0.00759160 
          0.00191906       0.00143410       0.00204382 
          0.00479607       0.00181852       0.00253959 
          0.00462587       0.00322087      -0.00388274 
          0.00438370       0.00063113      -0.00024383 
          0.00639564       0.00457474      -0.00203575 
          0.00092001       0.00312416       0.00180144 
          0.00089607       0.00323126       0.00099430 
          0.00358913       0.00354333       0.00335696 
          0.00235003       0.00492926      -0.00385624 
          0.00424654       0.00228648      -0.00000245 
          0.00446062       0.00360760      -0.00203787 
         -0.00056015       0.00780015       0.00339305 
         -0.00021704       0.00160816      -0.00085610 
          1.66197841      -0.17408769      -1.15085220 
         -3.61415625       2.09876160      -0.99166311 
          0.00148273       0.03887027      -0.00805011 
         -0.00306915       0.02266275      -0.01964108 
          0.00360659       0.00433858       0.00585047 
         -0.00133743      -0.00660651       0.00501973 
         -0.00155094      -0.01101122      -0.00621657 
          0.00488188       0.00596771      -0.00985108 
         -0.00016534      -0.01008771      -0.00245938 
         -0.00143527      -0.00247400      -0.00268216 
          0.00168628      -0.00128992       0.00164328 
         -4.71696191      -5.59440626      -4.33480240 
         -4.19759914      -4.94201083       0.05851994 
        -10.07951923       4.32533880       5.85106513 
          3.06270564       0.42555068      -1.13507401 
          0.00107230       0.00041264       0.00080785 
          0.00058310      -0.00247358      -0.00138496 
         -0.00044246      -0.00151075       0.00224172 
          0.00140528      -0.00134904       0.00084624 
          0.00041806      -0.00172860      -0.00046611 
          0.00205788      -0.00449842       0.00114292 
          0.00073691      -0.00046928       0.00111589 
         -0.00090848      -0.00201289      -0.00226434 
         -0.00011323      -0.00491882       0.00213796 
          0.00094245      -0.00022308       0.00047485 
          0.00161850      -0.00296676      -0.00146769 
         -0.00031822      -0.00411083       0.00041713 
          0.00027623       0.00072909      -0.00589878 
         -0.03046729       0.00151351       0.00088771 
         -0.00387139       0.01216833       0.00239570 
          0.00174862      -0.00778402       0.00353886 
          0.00222865      -0.00035042      -0.00362857 
         -0.00542560      -0.00011616      -0.00728923 
         -0.20018884      -0.15783006      -0.23569991 
         -0.01111169       0.00389634       0.02329896 
          0.00134257       0.01040905       0.00888373 
          0.00441729      -0.00140438      -0.00517767 
         -0.82691056      -0.34378172      -0.28005753 
         -0.08616011       0.26736029      -0.41966493 
          0.00122941      -0.00087061       0.00118013 
          0.00004070      -0.00047398      -0.00106739 
          0.00202242      -0.00332120       0.00082029 
          0.00161924       0.00027571       0.00100095 
          0.00209512      -0.00188517      -0.00106495 
          0.00049635      -0.00145954      -0.00039371 
          0.00190479      -0.00012097       0.00055953 
          0.00105859      -0.00115115      -0.00048880 
          0.00140659      -0.00129663       0.00065487 
          0.00191131      -0.00071868       0.00113597 
          0.00184745      -0.00065828      -0.00080852 
          0.00185103      -0.00218749       0.00027009 
          0.00121843       0.00253320      -0.00237582 
         -1.87736384       0.27088562       1.21548462 
          0.00013648       0.00568698      -0.00109265 
         -0.00581418      -0.01004860       0.00684415 
          0.00280749       0.00614327       0.00124117 
          0.00194161      -0.00070163      -0.00423606 
          0.00248572       0.00077196      -0.00230213 
          0.00055730       0.00473233       0.00109928 
          4.35339750      -2.53913444       0.90112981 
          0.00252134       0.00294936      -0.00082259 
          0.00726062       0.00166643       0.00427068 
          0.00762771       0.00012597      -0.00433697 
          7.24692461      -6.32029697       0.20754227 
          3.24525477       6.57543016      -3.42382100 
          4.85456860       1.80182680       2.07364472 
         -3.08635911      -6.70355428       4.29134026 
         -7.03490527       7.64382143       0.37212984 
          3.14117955      -2.90940428       1.14630718 
         -1.97996878      -3.73998722      -5.16681650 
          5.41721603      -2.34963898      -2.85869912 
          2.39308968       3.57987001       4.93511615 
         -2.25667697       2.64417863      -1.86919885 
         -0.06265005      -0.28110933       0.58588172 
         -0.50214698       0.01168094       0.71366741 
          0.73876185       0.29913704       0.26465335 
          1.36607468       0.82009329      -0.85305741 
         -0.27482118      -1.45709774      -0.59532173 
         -0.21467943       0.05050852      -0.13306759 
          0.28473155       1.26111216       0.53456906 
         -1.26809296      -0.83270879       0.89242913 
          0.12721136      -0.56080884      -0.12639463 
          0.04206642      -0.00146795       0.02467032 
         -2.30555902       1.97416270       6.20467363 
          4.18844285      -2.27632867      -6.16792123 
          3.69176263      -2.87900743      -1.07806346 
         -0.55475409       1.56498510      -0.27131011 
          1.17503753      -0.09167444      -0.10111105 
         -0.15797557      -0.03878246       0.02185086 
          0.66239937      -0.84968702       0.45379573 
         -1.16750342       1.00710281      -0.77710246 
  
  
          7.81653600       1.00949760       1.31547674 
          1.00949741       0.94067154       0.71085668 
          1.31547751       0.71085696     -13.19319140 
  
  
     -1757.04191522 
     -1757.07898081 
     -1757.05427042 
  
   1222.59 1222.35
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -21.5317    1.0000 
         -20.9518    1.0000 
         -20.1096    1.0000 
         -19.5595    1.0000 
         -19.4958    1.0000 
         -19.4872    1.0000 
         -19.4597    1.0000 
         -19.4588    1.0000 
         -19.4556    1.0000 
         -19.3498    1.0000 
         -19.3475    1.0000 
         -19.3424    1.0000 
         -19.3419    1.0000 
         -19.3207    1.0000 
         -19.3203    1.0000 
         -19.3196    1.0000 
         -19.3181    1.0000 
         -19.3175    1.0000 
         -19.3140    1.0000 
         -19.3085    1.0000 
         -19.2045    1.0000 
         -19.0115    1.0000 
         -19.0003    1.0000 
         -18.9994    1.0000 
         -18.9982    1.0000 
         -18.9976    1.0000 
         -18.9974    1.0000 
         -18.9964    1.0000 
         -18.9955    1.0000 
         -18.9877    1.0000 
         -18.9764    1.0000 
         -18.9293    1.0000 
         -18.8413    1.0000 
         -18.6994    1.0000 
         -18.6989    1.0000 
         -18.6987    1.0000 
         -18.6983    1.0000 
         -18.6957    1.0000 
         -18.6841    1.0000 
         -18.6768    1.0000 
         -18.6727    1.0000 
         -18.6722    1.0000 
         -18.6649    1.0000 
         -18.6535    1.0000 
         -18.5859    1.0000 
         -18.5851    1.0000 
         -18.5644    1.0000 
         -18.5449    1.0000 
         -18.5338    1.0000 
         -18.4669    1.0000 
         -17.6634    1.0000 
         -17.1732    1.0000 
         -13.4990    1.0000 
         -13.2029    1.0000 
         -12.9284    1.0000 
         -11.4478    1.0000 
         -10.7295    1.0000 
         -10.2288    1.0000 
          -9.8905    1.0000 
          -9.8709    1.0000 
          -9.7603    1.0000 
          -9.7576    1.0000 
          -9.7020    1.0000 
          -9.6999    1.0000 
          -9.4436    1.0000 
          -9.4399    1.0000 
          -9.4218    1.0000 
          -9.3770    1.0000 
          -9.3698    1.0000 
          -9.2883    1.0000 
          -9.2634    1.0000 
          -9.2605    1.0000 
          -9.2593    1.0000 
          -9.2563    1.0000 
          -9.0303    1.0000 
          -9.0241    1.0000 
          -8.9803    1.0000 
          -8.9683    1.0000 
          -8.9680    1.0000 
          -8.9617    1.0000 
          -8.9443    1.0000 
          -8.9227    1.0000 
          -8.9068    1.0000 
          -8.6524    1.0000 
          -8.6378    1.0000 
          -8.6107    1.0000 
          -8.6043    1.0000 
          -8.5912    1.0000 
          -8.5846    1.0000 
          -8.4734    1.0000 
          -8.4484    1.0000 
          -8.3916    1.0000 
          -8.3879    1.0000 
          -8.3474    1.0000 
          -8.3069    1.0000 
          -8.2884    1.0000 
          -8.2642    1.0000 
          -8.2605    1.0000 
          -8.2536    1.0000 
          -8.2501    1.0000 
          -8.2468    1.0000 
          -8.2293    1.0000 
          -8.1411    1.0000 
          -8.1114    1.0000 
          -8.1096    1.0000 
          -8.1078    1.0000 
          -8.1011    1.0000 
          -8.0961    1.0000 
          -8.0930    1.0000 
          -8.0479    1.0000 
          -8.0404    1.0000 
          -8.0202    1.0000 
          -8.0163    1.0000 
          -8.0080    1.0000 
          -8.0059    1.0000 
          -8.0055    1.0000 
          -8.0033    1.0000 
          -8.0026    1.0000 
          -7.9995    1.0000 
          -7.9948    1.0000 
          -7.9731    1.0000 
          -7.9482    1.0000 
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