vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 20 
  04:00:07 
 
 
  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 
           0.20179117       0.90023603       0.37180017 
           0.01676196       0.82865526       0.31578046 
           0.23910284       0.23938620       0.35942321 
           0.97502655       0.78252230       0.35581224 
           0.23910284       0.23938620       0.20644554 
           0.07243617       0.40605287       0.28293437 
           0.99743394       0.44930289       0.20755219 
           0.05801448       0.13999582       0.27217558 
           0.23910284       0.57271953       0.35942321 
           0.26150908       0.06903749       0.34695094 
           0.23910284       0.57271953       0.20644554 
           0.07243617       0.73938620       0.28293437 
           0.20158252       0.69208288       0.37043079 
           0.08149286       0.51248729       0.33955203 
           0.23910284       0.90605287       0.35942321 
           0.03456336       0.58824236       0.64335583 
           0.23910284       0.90605287       0.20644554 
           0.40576951       0.07271953       0.28293437 
           0.71571873       0.00469709       0.28804185 
           0.39294136       0.89543491       0.25557652 
           0.57243617       0.23938620       0.35942321 
           0.52072200       0.47227167       0.31350651 
           0.57243617       0.23938620       0.20644554 
           0.40576951       0.40605287       0.28293437 
           0.58803261       0.41624181       0.24005213 
           0.37738301       0.21080312       0.08215004 
           0.57243617       0.57271953       0.35942321 
           0.11570623       0.23263219       0.84056918 
           0.57243617       0.57271953       0.20644554 
           0.40576951       0.73938620       0.28293437 
           0.59068154       0.93828574       0.36508420 
           0.36658867       0.53872965       0.26993273 
           0.57243617       0.90605287       0.35942321 
           0.32169112       0.72901088       0.34272454 
           0.57243617       0.90605287       0.20644554 
           0.73910284       0.07271953       0.28293437 
           0.06234324       0.85711512       0.39308256 
           0.78059703       0.91758810       0.30905237 
           0.90576951       0.23938620       0.35942321 
           0.90956963       0.47837455       0.62070223 
           0.90576951       0.23938620       0.20644554 
           0.73910284       0.40605287       0.28293437 
           0.18209084       0.19688192       0.28149529 
           0.70346599       0.12953596       0.31547936 
           0.90576951       0.57271953       0.35942321 
           0.40175845       0.86397291       0.54886286 
           0.90576951       0.57271953       0.20644554 
           0.73910284       0.73938620       0.28293437 
           0.07237157       0.66994832       0.30979311 
           0.75242114       0.55788423       0.41916060 
           0.90576951       0.90605287       0.35942321 
           0.00660522       0.44898851       0.02187458 
           0.90576951       0.90605287       0.20644554 
           0.07243617       0.07271953       0.20644554 
           0.24670905       0.95478896       0.37433862 
           0.07243617       0.07271953       0.35942321 
           0.18210750       0.04600643       0.37921821 
           0.14402169       0.83861355       0.39096572 
           0.23910284       0.23938620       0.28293437 
           0.07243617       0.40605287       0.20644554 
           0.00809784       0.78685090       0.37737859 
           0.07243617       0.40605287       0.35942321 
           0.23432414       0.38653786       0.37239095 
           0.15818028       0.08287368       0.35889783 
           0.23910284       0.57271953       0.28293437 
           0.07243617       0.73938620       0.20644554 
           0.40590125       0.60952690       0.44883257 
           0.07243617       0.73938620       0.35942321 
           0.22100762       0.65254115       0.34600865 
           0.10008910       0.55594125       0.32840931 
           0.23910284       0.90605287       0.28293437 
           0.40576951       0.07271953       0.20644554 
           0.93948331       0.11345865       0.47603572 
           0.40576951       0.07271953       0.35942321 
           0.57995767       0.04953196       0.37925180 
           0.37971630       0.91870490       0.41116041 
           0.57243617       0.23938620       0.28293437 
           0.40576951       0.40605287       0.20644554 
           0.78388966       0.69936547       0.38143936 
           0.40576951       0.40605287       0.35942321 
           0.52251417       0.37025926       0.32623343 
           0.42679060       0.18532554       0.27359861 
           0.57243617       0.57271953       0.28293437 
           0.40576951       0.73938620       0.20644554 
           0.71875355       0.94988752       0.27933437 
           0.40576951       0.73938620       0.35942321 
           0.54519293       0.70953613       0.31796825 
           0.39298722       0.61955632       0.38118844 
           0.57243617       0.90605287       0.28293437 
           0.73910284       0.07271953       0.20644554 
           0.06039855       0.01516533       0.40975155 
           0.73910284       0.07271953       0.35942321 
           0.88250739       0.04874998       0.35232105 
           0.82385039       0.84659167       0.34854928 
           0.90576951       0.23938620       0.28293437 
           0.73910284       0.40605287       0.20644554 
           0.20057297       0.07657738       0.30166800 
           0.73910284       0.40605287       0.35942321 
           0.90606833       0.32963143       0.32167397 
           0.80178177       0.08328246       0.45293629 
           0.90576951       0.57271953       0.28293437 
           0.73910284       0.73938620       0.20644554 
           0.14785087       0.79510887       0.37183583 
           0.73910284       0.73938620       0.35942321 
           0.90611334       0.67576758       0.32039459 
           0.85315581       0.49317782       0.45999301 
           0.90576951       0.90605287       0.28293437 
           0.04470258       0.05530303       0.65199855 
           0.08477657       0.40448061       0.60187188 
           0.79454247       0.42536008       0.75142442 
           0.48990457       0.40805174       0.50141747 
           0.00440685       0.27385819       0.61748070 
           0.10233263       0.56394965       0.78074194 
           0.88758320       0.27398066       0.70653265 
           0.53961467       0.22216513       0.76044644 
           0.12204955       0.87382479       0.79781353 
           0.02195172       0.16004490       0.52235205 
           0.60336005       0.82885428       0.51276652 
           0.30613360       0.96280108       0.98961945 
           0.39202839       0.76961147       0.68548565 
           0.69152706       0.64272859       0.76802632 
           0.30624056       0.40260979       0.56684301 
           0.14949357       0.31960479       0.34914360 
           0.10237123       0.86768670       0.99578937 
           0.63528886       0.09153457       0.05599297 
           0.51548292       0.32568036       0.93196432 
           0.05309142       0.54492663       0.29564827 
           0.83127205       0.11608177       0.74061744 
           0.37362768       0.88866876       0.95455982 
           0.79292394       0.90116991       0.64141524 
           0.90859804       0.94048696       0.42750189 
           0.67234595       0.24020777       0.88288106 
           0.42349935       0.03138004       0.71870687 
           0.15587702       0.53888644       0.15648728 
           0.66229941       0.08710223       0.65842630 
           0.52283250       0.79833550       0.72088529 
           0.69252104       0.57236889       0.91695500 
           0.46348484       0.46188469       0.93584797 
           0.40914062       0.94813708       0.06640720 
           0.03031083       0.41436061       0.26272168 
           0.78768721       0.61276913       0.16881176 
           0.84676529       0.50334170       0.84368374 
           0.46716145       0.57387988       0.35556968 
           0.66097520       0.31225263       0.40825435 
           0.43373968       0.45847452       0.73121307 
           0.53540579       0.34754648       0.01556192 
           0.36027391       0.81044940       0.53649132 
           0.75758160       0.07009115       0.37733669 
           0.26311323       0.93803379       0.87223734 
           0.53797329       0.81767645       0.36732980 
           0.42992112       0.69760963       0.06823814 
           0.12465343       0.43707799       0.93268026 
           0.59749680       0.35837495       0.31773794 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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          19 
          20 
          21 
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          25 
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          31 
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         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 
   
  
  
          0.07243617       0.07271953       0.28293437 
          0.20179117       0.90023603       0.37180017 
          0.01676196       0.82865526       0.31578046 
          0.23910284       0.23938620       0.35942321 
          0.97502655       0.78252230       0.35581224 
          0.23910284       0.23938620       0.20644554 
          0.07243617       0.40605287       0.28293437 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
   
   
   
   
   
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