vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 20 
  02:30:42 
 
 
  No title
       0
  Normal
  Very Fast (RMM-DIIS)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.99652000       0.00000000       0.00000000 
            0.00000000       8.99652000       0.00000000 
            0.00000000       0.00000000      27.72300000 
    
       2243.82676702 
    
            0.11115409       0.00000000       0.00000000 
            0.00000000       0.11115409       0.00000000 
            0.00000000       0.00000000       0.03607113 
    
   
   
           0.07233950       0.07177684       0.28210051 
           0.73265514       0.75813215       0.91825473 
           0.72933933       0.78040178       0.80117626 
           0.23900617       0.23844351       0.35858935 
           0.05926472       0.02027969       0.20930611 
           0.23900617       0.23844351       0.20561168 
           0.07233950       0.40511018       0.28210051 
           0.13001421       0.76701152       0.63458563 
           0.01171364       0.86850717       0.48297502 
           0.23900617       0.57177684       0.35858935 
           0.99988031       0.38516040       0.81032824 
           0.23900617       0.57177684       0.20561168 
           0.07233950       0.73844351       0.28210051 
           0.73701464       0.86298823       0.89128524 
           0.85881567       0.77339714       0.75793828 
           0.23900617       0.90511018       0.35858935 
           0.39469586       0.27110583       0.47278268 
           0.23900617       0.90511018       0.20561168 
           0.40567284       0.07177684       0.28210051 
           0.26520317       0.87152548       0.00630744 
           0.26241245       0.75141947       0.25679346 
           0.57233950       0.23844351       0.35858935 
           0.73963889       0.00701715       0.38968489 
           0.57233950       0.23844351       0.20561168 
           0.40567284       0.40511018       0.28210051 
           0.06912734       0.49998125       0.19326627 
           0.34183134       0.89458531       0.32674517 
           0.57233950       0.57177684       0.35858935 
           0.99299216       0.85362317       0.49325366 
           0.57233950       0.57177684       0.20561168 
           0.40567284       0.73844351       0.28210051 
           0.78394778       0.51526839       0.08795910 
           0.83223140       0.71200905       0.26096314 
           0.57233950       0.90511018       0.35858935 
           0.48091271       0.86727990       0.12128831 
           0.57233950       0.90511018       0.20561168 
           0.73900617       0.07177684       0.28210051 
           0.79196793       0.35269672       0.17135314 
           0.08524955       0.58021199       0.40234934 
           0.90567284       0.23844351       0.35858935 
           0.89780151       0.96286928       0.34426180 
           0.90567284       0.23844351       0.20561168 
           0.73900617       0.40511018       0.28210051 
           0.50715493       0.41669255       0.31140340 
           0.00289403       0.01015000       0.41277553 
           0.90567284       0.57177684       0.35858935 
           0.93747557       0.99398710       0.74327325 
           0.90567284       0.57177684       0.20561168 
           0.73900617       0.73844351       0.28210051 
           0.70930342       0.28364577       0.02700926 
           0.95139448       0.93037700       0.22543997 
           0.90567284       0.90511018       0.35858935 
           0.22737647       0.73727416       0.66316340 
           0.90567284       0.90511018       0.20561168 
           0.07233950       0.07177684       0.20561168 
           0.40365639       0.76117060       0.93206777 
           0.07233950       0.07177684       0.35858935 
           0.86652629       0.31612717       0.11389908 
           0.47134630       0.14872910       0.70178743 
           0.23900617       0.23844351       0.28210051 
           0.07233950       0.40511018       0.20561168 
           0.04258607       0.96855093       0.29961300 
           0.07233950       0.40511018       0.35858935 
           0.30552770       0.65673303       0.10003205 
           0.27511882       0.19737087       0.39571808 
           0.23900617       0.57177684       0.28210051 
           0.07233950       0.73844351       0.20561168 
           0.95833296       0.12367944       0.78586087 
           0.07233950       0.73844351       0.35858935 
           0.97780591       0.49650150       0.82194126 
           0.86316029       0.07892731       0.98530453 
           0.23900617       0.90511018       0.28210051 
           0.40567284       0.07177684       0.20561168 
           0.82334724       0.56952264       0.00709582 
           0.40567284       0.07177684       0.35858935 
           0.66389192       0.33814824       0.13840629 
           0.33089573       0.37125411       0.79366495 
           0.57233950       0.23844351       0.28210051 
           0.40567284       0.40511018       0.20561168 
           0.66669042       0.92548516       0.29569132 
           0.40567284       0.40511018       0.35858935 
           0.98594139       0.46633976       0.85412097 
           0.63650400       0.11586902       0.49020271 
           0.57233950       0.57177684       0.28210051 
           0.40567284       0.73844351       0.20561168 
           0.30717595       0.00190291       0.49420220 
           0.40567284       0.73844351       0.35858935 
           0.37803654       0.00480831       0.62651218 
           0.19224713       0.10788888       0.17775430 
           0.57233950       0.90511018       0.28210051 
           0.73900617       0.07177684       0.20561168 
           0.86672851       0.05009877       0.72478867 
           0.73900617       0.07177684       0.35858935 
           0.67898631       0.23436204       0.98483523 
           0.27979285       0.94097086       0.99052389 
           0.90567284       0.23844351       0.28210051 
           0.73900617       0.40511018       0.20561168 
           0.24501038       0.05280145       0.20117399 
           0.73900617       0.40511018       0.35858935 
           0.73756777       0.19812190       0.62034581 
           0.67119113       0.38606004       0.77530846 
           0.90567284       0.57177684       0.28210051 
           0.73900617       0.73844351       0.20561168 
           0.87470309       0.08635654       0.31966077 
           0.73900617       0.73844351       0.35858935 
           0.88127685       0.86296945       0.61407626 
           0.73289485       0.92559424       0.79347597 
           0.90567284       0.90511018       0.28210051 
           0.60440086       0.54050945       0.83850080 
           0.73411604       0.63020269       0.79153600 
           0.71780114       0.26771479       0.67592239 
           0.84135667       0.53117689       0.02397569 
           0.08126078       0.56476748       0.70593589 
           0.11910801       0.46109328       0.34589142 
           0.83681181       0.02733337       0.05224629 
           0.95448582       0.36970835       0.42299098 
           0.08312106       0.31509163       0.87254702 
           0.35987788       0.75909392       0.33648434 
           0.91707182       0.91154660       0.89613732 
           0.37725768       0.29743289       0.52817701 
           0.47260739       0.80117621       0.68335047 
           0.61135316       0.07485242       0.48613671 
           0.74001438       0.62787431       0.41230770 
           0.15559101       0.35597988       0.67824380 
           0.72727395       0.94763161       0.27115322 
           0.97202433       0.46710878       0.00104070 
           0.82582470       0.84678794       0.26655086 
           0.58077504       0.91570356       0.17783118 
           0.20468923       0.68926339       0.32972496 
           0.08392246       0.37806618       0.97792615 
           0.23431225       0.21112676       0.10931405 
           0.14176072       0.71844279       0.94693712 
           0.53029487       0.07045013       0.84011087 
           0.48760284       0.44644623       0.38384689 
           0.53991629       0.97698847       0.09012362 
           0.86542987       0.62663606       0.17652993 
           0.55445512       0.77943685       0.79279475 
           0.93402541       0.97702698       0.10552245 
           0.22856237       0.73725715       0.63359161 
           0.97213727       0.62253186       0.27243088 
           0.79774235       0.65678031       0.92899435 
           0.17622756       0.29810667       0.83647459 
           0.81779631       0.90398951       0.12911874 
           0.94956377       0.13551374       0.02323455 
           0.37699778       0.71972296       0.79479967 
           0.97138430       0.01954274       0.68420030 
           0.59629814       0.12851909       0.90262652 
           0.73986810       0.89238101       0.99415432 
           0.03561810       0.73527227       0.71766971 
           0.52138547       0.13326323       0.47386014 
           0.56826702       0.10039109       0.59473020 
           0.97153650       0.63724942       0.07695887 
           0.48993330       0.62576676       0.89652010 
           0.96030568       0.20321053       0.61923212 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
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          30 
          31 
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          33 
          34 
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          36 
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          41 
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          45 
          46 
          47 
          48 
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          51 
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          54 
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          96 
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         139 
         140 
         141 
         142 
         143 
         144 
         145 
         146 
         147 
         148 
         149 
         150 
         151 
         152 
         153 
         154 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       48
       10
      615
       -1
       -1
      1025.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
       -12
         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
   
  
  
       48
       48
      140
       96
       96
      280
    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
         1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      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  
        47.88000000     14.00100000      1.00000000     28.08500000     16.00000000     12.01100000
         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
         8.74218221
         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  
  
 
 
       154 
         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
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    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
    Si   4
    O    5
    O    5
    C    6
    C    6
    C    6
    C    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      54Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
      63N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           8.99652000       0.00000000       0.00000000 
           0.00000000       8.99652000       0.00000000 
           0.00000000       0.00000000      27.72300000 
   
      2243.82676702 
   
           0.11115409       0.00000000       0.00000000 
           0.00000000       0.11115409       0.00000000 
           0.00000000       0.00000000       0.03607113 
   
  
  
          0.07233950       0.07177684       0.28210051 
          0.73265514       0.75813215       0.91825473 
          0.72933933       0.78040178       0.80117626 
          0.23900617       0.23844351       0.35858935 
          0.05926472       0.02027969       0.20930611 
          0.23900617       0.23844351       0.20561168 
          0.07233950       0.40511018       0.28210051 
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