vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 20 
  00:49:11 
 
 
  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 
    
   
   
           0.07272619       0.07554760       0.28543595 
           0.38240175       0.08555891       0.58002886 
           0.38788925       0.99154034       0.71091677 
           0.23939286       0.24221427       0.36192479 
           0.02588828       0.41773800       0.78484846 
           0.23939286       0.24221427       0.20894712 
           0.07272619       0.40888094       0.28543595 
           0.30718626       0.22755304       0.28590089 
           0.45286950       0.22567914       0.19560451 
           0.23939286       0.57554760       0.36192479 
           0.75088362       0.98427110       0.22266016 
           0.23939286       0.57554760       0.20894712 
           0.07272619       0.74221427       0.28543595 
           0.38583926       0.87761704       0.16455569 
           0.20788760       0.36191007       0.26337584 
           0.23939286       0.90888094       0.36192479 
           0.92336135       0.20260599       0.49484162 
           0.23939286       0.90888094       0.20894712 
           0.40605953       0.07554760       0.28543595 
           0.02574675       0.50291876       0.95300660 
           0.56203642       0.04099071       0.95847253 
           0.57272619       0.24221427       0.36192479 
           0.77425568       0.85394698       0.18837904 
           0.57272619       0.24221427       0.20894712 
           0.40605953       0.40888094       0.28543595 
           0.13219441       0.87935705       0.00435059 
           0.57314818       0.24510821       0.94963430 
           0.57272619       0.57554760       0.36192479 
           0.03654620       0.58624739       0.17907512 
           0.57272619       0.57554760       0.20894712 
           0.40605953       0.74221427       0.28543595 
           0.91419759       0.68871593       0.44505845 
           0.21802750       0.29938400       0.85347372 
           0.57272619       0.90888094       0.36192479 
           0.06171011       0.41307296       0.27555093 
           0.57272619       0.90888094       0.20894712 
           0.73939286       0.07554760       0.28543595 
           0.11723702       0.69204208       0.54117073 
           0.58842964       0.28095444       0.04758974 
           0.90605953       0.24221427       0.36192479 
           0.52358496       0.27522151       0.95166632 
           0.90605953       0.24221427       0.20894712 
           0.73939286       0.40888094       0.28543595 
           0.10474393       0.31338917       0.82450377 
           0.05944912       0.55875198       0.96595971 
           0.90605953       0.57554760       0.36192479 
           0.17981321       0.24509957       0.17236929 
           0.90605953       0.57554760       0.20894712 
           0.73939286       0.74221427       0.28543595 
           0.28909456       0.38215433       0.92536163 
           0.32631762       0.02735928       0.79215302 
           0.90605953       0.90888094       0.36192479 
           0.80318856       0.16246205       0.61358149 
           0.90605953       0.90888094       0.20894712 
           0.07272619       0.07554760       0.20894712 
           0.13681132       0.93750490       0.54668981 
           0.07272619       0.07554760       0.36192479 
           0.20809651       0.23617578       0.66640962 
           0.80715782       0.71667614       0.45114739 
           0.23939286       0.24221427       0.28543595 
           0.07272619       0.40888094       0.20894712 
           0.55257001       0.81978610       0.60926756 
           0.07272619       0.40888094       0.36192479 
           0.26564534       0.21828860       0.36189467 
           0.85250116       0.86432730       0.76301031 
           0.23939286       0.57554760       0.28543595 
           0.07272619       0.74221427       0.20894712 
           0.35585394       0.72508495       0.94493759 
           0.07272619       0.74221427       0.36192479 
           0.87288552       0.52139995       0.17048983 
           0.16868994       0.32482501       0.72192712 
           0.23939286       0.90888094       0.28543595 
           0.40605953       0.07554760       0.20894712 
           0.11672336       0.95025740       0.83240435 
           0.40605953       0.07554760       0.36192479 
           0.68350439       0.56822396       0.42868365 
           0.35553421       0.15190670       0.74018144 
           0.57272619       0.24221427       0.28543595 
           0.40605953       0.40888094       0.20894712 
           0.76402676       0.37073633       0.24626336 
           0.40605953       0.40888094       0.36192479 
           0.62712118       0.63752397       0.00466702 
           0.54073557       0.26354376       0.57595255 
           0.57272619       0.57554760       0.28543595 
           0.40605953       0.74221427       0.20894712 
           0.41326883       0.28113479       0.60303822 
           0.40605953       0.74221427       0.36192479 
           0.06180738       0.92464013       0.82539235 
           0.56823181       0.42457564       0.27656833 
           0.57272619       0.90888094       0.28543595 
           0.73939286       0.07554760       0.20894712 
           0.01206448       0.63111048       0.08696563 
           0.73939286       0.07554760       0.36192479 
           0.69361426       0.92613990       0.60883477 
           0.25896130       0.67830299       0.02626951 
           0.90605953       0.24221427       0.28543595 
           0.73939286       0.40888094       0.20894712 
           0.58255587       0.81407044       0.45274006 
           0.73939286       0.40888094       0.36192479 
           0.36006707       0.94969437       0.42551612 
           0.55720070       0.41096817       0.55699415 
           0.90605953       0.57554760       0.28543595 
           0.73939286       0.74221427       0.20894712 
           0.05185882       0.25447081       0.20584646 
           0.73939286       0.74221427       0.36192479 
           0.10168295       0.17639676       0.55039060 
           0.84463379       0.20151691       0.21694718 
           0.90605953       0.90888094       0.28543595 
           0.87233326       0.67719475       0.68711682 
           0.96043653       0.97868430       0.39738162 
           0.68412905       0.35372994       0.14946595 
           0.17422964       0.02975863       0.10297383 
           0.40749645       0.09597697       0.84788267 
           0.35173469       0.67829140       0.80985653 
           0.69530309       0.72405737       0.77881226 
           0.42990120       0.50616347       0.50783022 
           0.46491117       0.11187499       0.59877205 
           0.00223494       0.54471760       0.98000604 
           0.87582110       0.47805947       0.54446075 
           0.66439856       0.79400851       0.53366924 
           0.46326821       0.61053415       0.90774202 
           0.09164571       0.04152592       0.26236205 
           0.05206909       0.53383952       0.23341455 
           0.31831665       0.67112980       0.54843047 
           0.97430498       0.36674908       0.61228992 
           0.70811450       0.20245612       0.52220323 
           0.76328191       0.07530691       0.79515194 
           0.14487075       0.66513719       0.90956409 
           0.12962839       0.14527093       0.82633293 
           0.48351218       0.00320510       0.21207929 
           0.60276623       0.21970228       0.37308388 
           0.40952229       0.30653332       0.21604155 
           0.80060951       0.65591989       0.03407755 
           0.79892428       0.55926795       0.52150500 
           0.02728021       0.05250842       0.21674315 
           0.42747214       0.41615557       0.54481950 
           0.88328613       0.40815212       0.01362859 
           0.84069525       0.83175626       0.47597641 
           0.05923497       0.78380897       0.90944442 
           0.78658564       0.53695170       0.08238961 
           0.88838976       0.08650262       0.24921847 
           0.65306031       0.82499362       0.77298831 
           0.62141444       0.51223775       0.70280169 
           0.99542756       0.48845591       0.11914882 
           0.95865055       0.53649289       0.30407916 
           0.36260432       0.71231008       0.77955712 
           0.04342143       0.64027078       0.15533547 
           0.80833243       0.96564565       0.38209737 
           0.53047408       0.11514285       0.21452542 
           0.64080891       0.80144386       0.99251845 
           0.72021274       0.66970475       0.87106929 
           0.81850097       0.36162806       0.52292127 
           0.73576744       0.54969352       0.19273267 
           0.55056818       0.95732630       0.00384581 
   
  
  
           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 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
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          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
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          66 
          67 
          68 
          69 
          70 
          71 
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          73 
          74 
          75 
          76 
          77 
          78 
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          80 
          81 
          82 
          83 
          84 
          85 
          86 
          87 
          88 
          89 
          90 
          91 
          92 
          93 
          94 
          95 
          96 
          97 
          98 
          99 
         100 
         101 
         102 
         103 
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         105 
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         108 
         109 
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         113 
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         119 
         120 
         121 
         122 
         123 
         124 
         125 
         126 
         127 
         128 
         129 
         130 
         131 
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         133 
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         136 
         137 
         138 
         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 
   
  
  
          0.07272619       0.07554760       0.28543595 
          0.38240175       0.08555891       0.58002886 
          0.38788925       0.99154034       0.71091677 
          0.23939286       0.24221427       0.36192479 
          0.02588828       0.41773800       0.78484846 
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