vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 19 
  23:11:26 
 
 
  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 
    
   
   
           0.07301621       0.07837567       0.28793753 
           0.31396745       0.61715471       0.15226083 
           0.22865162       0.95168281       0.13296062 
           0.23968288       0.24504234       0.36442637 
           0.59505926       0.40314935       0.45520684 
           0.23968288       0.24504234       0.21144870 
           0.07301621       0.41170901       0.28793753 
           0.44479252       0.90499487       0.42004342 
           0.36719062       0.30521211       0.79149879 
           0.23968288       0.57837567       0.36442637 
           0.98538584       0.97335904       0.31056868 
           0.23968288       0.57837567       0.21144870 
           0.07301621       0.74504234       0.28793753 
           0.35278313       0.93804106       0.45486491 
           0.66116750       0.16709457       0.31746583 
           0.23968288       0.91170901       0.36442637 
           0.11754849       0.18702189       0.85490535 
           0.23968288       0.91170901       0.21144870 
           0.40634955       0.07837567       0.28793753 
           0.15306103       0.14423869       0.70154426 
           0.30953064       0.96715740       0.87090051 
           0.57301621       0.24504234       0.36442637 
           0.33819197       0.91405254       0.22175664 
           0.57301621       0.24504234       0.21144870 
           0.40634955       0.41170901       0.28793753 
           0.26855123       0.05582300       0.34177047 
           0.31928277       0.80159312       0.42396840 
           0.57301621       0.57837567       0.36442637 
           0.38553889       0.29358195       0.00168718 
           0.57301621       0.57837567       0.21144870 
           0.40634955       0.74504234       0.28793753 
           0.61206620       0.05803059       0.94778936 
           0.37475122       0.77419052       0.40808928 
           0.57301621       0.91170901       0.36442637 
           0.90905308       0.60695938       0.20937093 
           0.57301621       0.91170901       0.21144870 
           0.73968288       0.07837567       0.28793753 
           0.68900589       0.92139930       0.39970391 
           0.21939286       0.55473122       0.35825773 
           0.90634955       0.24504234       0.36442637 
           0.40151145       0.15368021       0.09264876 
           0.90634955       0.24504234       0.21144870 
           0.73968288       0.41170901       0.28793753 
           0.59309246       0.09591051       0.00655797 
           0.74712735       0.64064542       0.19471039 
           0.90634955       0.57837567       0.36442637 
           0.16934169       0.15291652       0.04134770 
           0.90634955       0.57837567       0.21144870 
           0.73968288       0.74504234       0.28793753 
           0.38859200       0.65606856       0.63685412 
           0.73971822       0.12121856       0.16324142 
           0.90634955       0.91170901       0.36442637 
           0.65178538       0.62086844       0.49365916 
           0.90634955       0.91170901       0.21144870 
           0.07301621       0.07837567       0.21144870 
           0.10430266       0.97557267       0.87827668 
           0.07301621       0.07837567       0.36442637 
           0.23691142       0.29067316       0.18469832 
           0.04694273       0.02296131       0.04051135 
           0.23968288       0.24504234       0.28793753 
           0.07301621       0.41170901       0.21144870 
           0.40593966       0.56322844       0.39067334 
           0.07301621       0.41170901       0.36442637 
           0.02186508       0.16640266       0.57696776 
           0.20602809       0.66483681       0.90756509 
           0.23968288       0.57837567       0.28793753 
           0.07301621       0.74504234       0.21144870 
           0.41977352       0.20636346       0.45419745 
           0.07301621       0.74504234       0.36442637 
           0.03630322       0.23197389       0.87357658 
           0.20560303       0.19600922       0.34133595 
           0.23968288       0.91170901       0.28793753 
           0.40634955       0.07837567       0.21144870 
           0.35766787       0.80048210       0.70897297 
           0.40634955       0.07837567       0.36442637 
           0.94899076       0.95663367       0.30881036 
           0.96528697       0.20458822       0.29288010 
           0.57301621       0.24504234       0.28793753 
           0.40634955       0.41170901       0.21144870 
           0.78175839       0.73263760       0.40884843 
           0.40634955       0.41170901       0.36442637 
           0.52766083       0.76464251       0.98484521 
           0.93274259       0.16157094       0.68359721 
           0.57301621       0.57837567       0.28793753 
           0.40634955       0.74504234       0.21144870 
           0.57957997       0.93429382       0.30534522 
           0.40634955       0.74504234       0.36442637 
           0.52696854       0.97614009       0.52443728 
           0.24350891       0.11614514       0.85436241 
           0.57301621       0.91170901       0.28793753 
           0.73968288       0.07837567       0.21144870 
           0.06570814       0.09800924       0.26779436 
           0.73968288       0.07837567       0.36442637 
           0.96304168       0.24827959       0.78644228 
           0.16220526       0.16773630       0.99309133 
           0.90634955       0.24504234       0.28793753 
           0.73968288       0.41170901       0.21144870 
           0.53238956       0.23950476       0.69230784 
           0.73968288       0.41170901       0.36442637 
           0.25707558       0.66512776       0.64112573 
           0.65181051       0.96712014       0.10906789 
           0.90634955       0.57837567       0.28793753 
           0.73968288       0.74504234       0.21144870 
           0.17057254       0.49799527       0.90275632 
           0.73968288       0.74504234       0.36442637 
           0.19771987       0.85245764       0.40824332 
           0.88296018       0.40200146       0.17567558 
           0.90634955       0.91170901       0.28793753 
           0.38087993       0.70586822       0.76642695 
           0.28014515       0.92284432       0.97091142 
           0.89136062       0.15512005       0.70385787 
           0.84865033       0.48383212       0.66997537 
           0.66465140       0.89990224       0.52246954 
           0.18749646       0.54716626       0.37329093 
           0.94219709       0.94255791       0.78653940 
           0.63207945       0.27510488       0.00405543 
           0.14686138       0.07106776       0.57186812 
           0.35660089       0.31713230       0.65433643 
           0.31407391       0.13539442       0.11250036 
           0.96711579       0.85737034       0.51144260 
           0.56251089       0.97110953       0.76856914 
           0.30554937       0.64506190       0.09199383 
           0.90457208       0.10947176       0.40178329 
           0.73451695       0.96704893       0.39782347 
           0.17797179       0.12774823       0.86700256 
           0.48030995       0.02648059       0.50212464 
           0.15379963       0.12827684       0.29820331 
           0.89114079       0.20193124       0.66128817 
           0.92706328       0.03561841       0.22871530 
           0.45053060       0.49010137       0.92760179 
           0.14371294       0.98809641       0.18583248 
           0.84072389       0.85071757       0.84817061 
           0.33705311       0.20668516       0.41114387 
           0.44588973       0.97381443       0.57163578 
           0.83277930       0.30379154       0.54474043 
           0.23022899       0.51060395       0.83638935 
           0.92789987       0.67731335       0.21637461 
           0.33998741       0.67996970       0.06366460 
           0.38014387       0.32240688       0.25106699 
           0.40479172       0.65282808       0.77252791 
           0.25646398       0.22714967       0.92248226 
           0.57108774       0.74594762       0.76777504 
           0.53067288       0.60275881       0.15731193 
           0.96462496       0.31959725       0.09908208 
           0.11555970       0.51034220       0.66644584 
           0.38969394       0.00254114       0.52385190 
           0.70340279       0.76081772       0.90235847 
           0.64705746       0.63837868       0.63657526 
           0.78653183       0.05768570       0.81789669 
           0.60478674       0.17636912       0.83718662 
           0.95242400       0.61965876       0.87779057 
           0.84435877       0.67243059       0.59566249 
           0.85082949       0.43358188       0.84213217 
           0.61120989       0.08449989       0.76303993 
   
  
  
           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 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
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          64 
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          82 
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          84 
          85 
          86 
          87 
          88 
          89 
          90 
          91 
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          94 
          95 
          96 
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         100 
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         107 
         108 
         109 
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         113 
         114 
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         116 
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         119 
         120 
         121 
         122 
         123 
         124 
         125 
         126 
         127 
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         137 
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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 
   
  
  
          0.07301621       0.07837567       0.28793753 
          0.31396745       0.61715471       0.15226083 
          0.22865162       0.95168281       0.13296062 
          0.23968288       0.24504234       0.36442637 
          0.59505926       0.40314935       0.45520684 
          0.23968288       0.24504234       0.21144870 
          0.07301621       0.41170901       0.28793753 
          0.44479252       0.90499487       0.42004342 
          0.36719062       0.30521211       0.79149879 
          0.23968288       0.57837567       0.36442637 
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