vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 20 
  02:30:43 
 
 
  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 
    
   
   
           0.07243617       0.07271953       0.28293437 
           0.87699433       0.96715125       0.14954400 
           0.53858053       0.72512990       0.27405195 
           0.23910284       0.23938620       0.35942321 
           0.13755459       0.27804508       0.28083424 
           0.23910284       0.23938620       0.20644554 
           0.07243617       0.40605287       0.28293437 
           0.91796011       0.38825356       0.57487476 
           0.93056191       0.84762917       0.85832328 
           0.23910284       0.57271953       0.35942321 
           0.89810003       0.16679001       0.18172052 
           0.23910284       0.57271953       0.20644554 
           0.07243617       0.73938620       0.28293437 
           0.88383001       0.84723425       0.14066814 
           0.15414191       0.55952824       0.50295749 
           0.23910284       0.90605287       0.35942321 
           0.72518341       0.26868427       0.02025384 
           0.23910284       0.90605287       0.20644554 
           0.40576951       0.07271953       0.28293437 
           0.95694624       0.97080987       0.34864348 
           0.28602997       0.35982614       0.69970423 
           0.57243617       0.23938620       0.35942321 
           0.49637566       0.89313413       0.87826771 
           0.57243617       0.23938620       0.20644554 
           0.40576951       0.40605287       0.28293437 
           0.72081092       0.06380765       0.88848679 
           0.13212827       0.52525148       0.04636331 
           0.57243617       0.57271953       0.35942321 
           0.21856830       0.32383513       0.74711348 
           0.57243617       0.57271953       0.20644554 
           0.40576951       0.73938620       0.28293437 
           0.74206004       0.18707223       0.09172152 
           0.02531587       0.80976341       0.83430434 
           0.57243617       0.90605287       0.35942321 
           0.60187598       0.20416786       0.15776525 
           0.57243617       0.90605287       0.20644554 
           0.73910284       0.07271953       0.28293437 
           0.40597609       0.55695764       0.35725539 
           0.13140708       0.57693823       0.21050190 
           0.90576951       0.23938620       0.35942321 
           0.38521694       0.36266037       0.81827930 
           0.90576951       0.23938620       0.20644554 
           0.73910284       0.40605287       0.28293437 
           0.53742367       0.94970449       0.28854965 
           0.40078477       0.74718753       0.27031214 
           0.90576951       0.57271953       0.35942321 
           0.08018611       0.18352361       0.12910979 
           0.90576951       0.57271953       0.20644554 
           0.73910284       0.73938620       0.28293437 
           0.50135968       0.63256082       0.56002997 
           0.86345752       0.99283978       0.26445257 
           0.90576951       0.90605287       0.35942321 
           0.29246173       0.92326649       0.62740674 
           0.90576951       0.90605287       0.20644554 
           0.07243617       0.07271953       0.20644554 
           0.33166396       0.50397727       0.53311007 
           0.07243617       0.07271953       0.35942321 
           0.69328731       0.37571178       0.88953114 
           0.75634580       0.81227507       0.33276545 
           0.23910284       0.23938620       0.28293437 
           0.07243617       0.40605287       0.20644554 
           0.02792876       0.61432750       0.56040779 
           0.07243617       0.40605287       0.35942321 
           0.18975546       0.77956511       0.82323902 
           0.89007916       0.29414729       0.02513599 
           0.23910284       0.57271953       0.28293437 
           0.07243617       0.73938620       0.20644554 
           0.83929218       0.05639143       0.24063824 
           0.07243617       0.73938620       0.35942321 
           0.06331627       0.46838073       0.57201522 
           0.33202443       0.96849166       0.73464651 
           0.23910284       0.90605287       0.28293437 
           0.40576951       0.07271953       0.20644554 
           0.09879866       0.03580699       0.51162466 
           0.40576951       0.07271953       0.35942321 
           0.64292324       0.40947714       0.89021645 
           0.15882532       0.58017237       0.52664480 
           0.57243617       0.23938620       0.28293437 
           0.40576951       0.40605287       0.20644554 
           0.58050545       0.76319238       0.58802391 
           0.40576951       0.40605287       0.35942321 
           0.09264333       0.62255733       0.38127158 
           0.60295979       0.27176439       0.21317766 
           0.57243617       0.57271953       0.28293437 
           0.40576951       0.73938620       0.20644554 
           0.96698148       0.29331921       0.62541416 
           0.40576951       0.73938620       0.35942321 
           0.30981405       0.01434389       0.30392903 
           0.28021023       0.57713327       0.23754519 
           0.57243617       0.90605287       0.28293437 
           0.73910284       0.07271953       0.20644554 
           0.39835172       0.06646644       0.86389418 
           0.73910284       0.07271953       0.35942321 
           0.68056734       0.40215163       0.63227553 
           0.54915057       0.88701320       0.92768076 
           0.90576951       0.23938620       0.28293437 
           0.73910284       0.40605287       0.20644554 
           0.72146076       0.80559720       0.83824253 
           0.73910284       0.40605287       0.35942321 
           0.90642548       0.23551813       0.33865218 
           0.33860075       0.29666097       0.92425705 
           0.90576951       0.57271953       0.28293437 
           0.73910284       0.73938620       0.20644554 
           0.22357190       0.83787011       0.51223668 
           0.73910284       0.73938620       0.35942321 
           0.90644752       0.69152299       0.32720423 
           0.83032155       0.36585435       0.99233971 
           0.90576951       0.90605287       0.28293437 
           0.80138395       0.90983423       0.52092960 
           0.30662796       0.40137670       0.03013068 
           0.87009857       0.72407843       0.46682942 
           0.51018428       0.31404115       0.07969353 
           0.08118379       0.49532882       0.30206657 
           0.05201465       0.54560910       0.75999344 
           0.69991453       0.04026823       0.04453241 
           0.95787115       0.71026806       0.56077646 
           0.70065437       0.91004740       0.90966689 
           0.59485950       0.07822580       0.11563342 
           0.54452625       0.58026484       0.02615217 
           0.69944959       0.06652298       0.02163798 
           0.89296657       0.21198676       0.65730707 
           0.38974322       0.26082647       0.53245353 
           0.58633440       0.30445155       0.54015265 
           0.36836624       0.76053697       0.49311852 
           0.32404905       0.27313584       0.64484596 
           0.25035358       0.74227764       0.39155227 
           0.94417794       0.92057250       0.11262952 
           0.75568796       0.01029844       0.01925164 
           0.50610850       0.19201916       0.61685944 
           0.16790549       0.63701007       0.27490936 
           0.77516210       0.45909236       0.31532191 
           0.37635722       0.93743362       0.27121733 
           0.80789111       0.18190815       0.63309564 
           0.64666255       0.04827506       0.01055981 
           0.10855397       0.23778604       0.62290158 
           0.69694475       0.89501187       0.03159665 
           0.73200562       0.37488738       0.69207015 
           0.31673722       0.19210296       0.22472211 
           0.23622345       0.16316502       0.90841430 
           0.93781221       0.20887214       0.11160401 
           0.70881345       0.44668286       0.47217390 
           0.71833769       0.58163288       0.57910942 
           0.36017839       0.59188079       0.31991970 
           0.81562450       0.58118679       0.91812132 
           0.89255635       0.82577901       0.46378684 
           0.97346915       0.04611908       0.95039945 
           0.95270423       0.92629357       0.70349481 
           0.58686184       0.49287873       0.47175053 
           0.51602458       0.05761494       0.30755174 
           0.71878932       0.08415925       0.46909538 
           0.74745151       0.77323551       0.33987755 
           0.31690471       0.47801805       0.46763903 
           0.58930091       0.55165469       0.38351506 
           0.68660588       0.92989939       0.11616575 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
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          14 
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          21 
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         143 
         144 
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         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 
   
  
  
          0.07243617       0.07271953       0.28293437 
          0.87699433       0.96715125       0.14954400 
          0.53858053       0.72512990       0.27405195 
          0.23910284       0.23938620       0.35942321 
          0.13755459       0.27804508       0.28083424 
          0.23910284       0.23938620       0.20644554 
          0.07243617       0.40605287       0.28293437 
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          0.77516210       0.45909236       0.31532191 
          0.37635722       0.93743362       0.27121733 
          0.80789111       0.18190815       0.63309564 
          0.64666255       0.04827506       0.01055981 
          0.10855397       0.23778604       0.62290158 
          0.69694475       0.89501187       0.03159665 
          0.73200562       0.37488738       0.69207015 
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          0.93781221       0.20887214       0.11160401 
          0.70881345       0.44668286       0.47217390 
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          0.36017839       0.59188079       0.31991970 
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          0.97346915       0.04611908       0.95039945 
          0.95270423       0.92629357       0.70349481 
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          0.58930091       0.55165469       0.38351506 
          0.68660588       0.92989939       0.11616575 
  
  
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       7.26    7.26
      20.54   20.54
       1.66    1.67
      30.58   30.58
   
       2759.81566181 
     396838.46226396 
    -480812.95836069 
       5008.36172620 
      82476.61415358 
     -81482.61018823 
          0.04565431 
     -31504.33976995 
     104348.45207405 
      -2368.15678496 
      -2368.20243927 
      -2368.17200306 
   
  
  
       5.92    5.92
      21.03   21.02
       1.57    1.57
      28.52   28.52
   
       6151.85642185 
       6151.89241659 
       6151.86842010 
   
  
  
       4.91    4.92
      21.32   21.32
       1.56    1.57
      27.80   27.81
   
       6129.35211766 
       6129.37661768 
       6129.36028433 
   
  
  
       4.69    4.71
      21.35   21.34
       1.59    1.59
      27.63   27.64
   
       5239.50995200 
       5239.48460249 
       5239.50150216 
   
  
  
       4.76    4.76
      21.42   21.41
       1.63    1.65
      27.81   27.83
   
       3937.54816652 
       3937.55455596 
       3937.55029634 
   
  
  
       5.02    5.03
      21.53   21.53
       1.72    1.76
      28.27   28.32
   
       3846.98310432 
       3847.03574282 
       3847.00065049 
   
  
  
       5.14    5.15
      21.56   21.55
       1.77    1.79
      28.46   28.49
   
       3357.34146988 
       3357.29477013 
       3357.32590329 
   
  
  
       4.75    4.76
      21.58   21.58
       1.95    1.99
      28.28   28.33
   
       2630.09910937 
       2630.04553979 
       2630.08125285 
   
  
  
       4.76    4.77
      96.24   96.22
       1.26    1.29
     102.26  102.29
   
       3969.29804631 
       3969.32667541 
       3969.30758934 
   
  
  
       4.88    4.89
      98.30   98.28
       1.23    1.24
     104.41  104.42
   
       3628.67113337 
       3628.65132856 
       3628.66453177 
   
  
  
       4.65    4.66
      99.41   99.39
       1.23    1.24
     105.30  105.30
   
       3581.65081012 
       3581.65181184 
       3581.65114402 
   
  
  
       4.67    4.67
      99.63   99.61
       1.22    1.23
     105.90  105.90
   
       3528.58953059 
       3528.61023571 
       3528.59643229 
   
  
  
       4.75    4.76
      98.74   98.72
       1.47    1.48
     105.85  105.84
   
       2943.37847586 
       2943.36105452 
       2943.37266875 
   
  
  
       4.29    4.30
      95.52   95.52
       1.45    1.46
     102.26  102.27
   
       3977.87153963 
       3977.88641825 
       3977.87649917 
   
  
  
       4.63    4.64
      94.26   94.25
       1.73    1.73
     101.55  101.55
   
       4506.29945557 
       4506.30135567 
       4506.30008893 
   
  
  
       4.47    4.48
      95.38   95.36
       1.73    1.73
     102.55  102.53
   
       4298.86258478 
       4298.87966300 
       4298.86827752 
   
  
  
       4.41    4.42
      94.54   94.53
       1.46    1.46
     101.51  101.51
   
       4186.58617206 
       4186.59993851 
       4186.59076088 
   
  
  
       4.85    4.86
      94.13   94.11
       2.06    2.08
     102.07  102.08
   
       4415.11635242 
       4415.09717525 
       4415.10996003 
   
  
  
       4.75    4.76
      98.86   98.84
       1.36    1.37
     106.05  106.04
   
       4435.42432425 
       4435.46248789 
       4435.43704547 
   
  
  
       4.71    4.73
      97.04   97.03