vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:12 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   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 
    
   
   
           0.08187016       0.07307159       0.28442384 
           0.25005278       0.24177711       0.51523447 
           0.08153915       0.07315322       0.43824150 
           0.24853683       0.23973826       0.36091268 
           0.08372827       0.07363253       0.59920834 
           0.24853683       0.23973826       0.20793501 
           0.08187016       0.40640493       0.28442384 
           0.24924305       0.57089263       0.51554753 
           0.08231849       0.40630971       0.43853187 
           0.24853683       0.57307159       0.36091268 
           0.08385346       0.40691826       0.59724265 
           0.24853683       0.57307159       0.20793501 
           0.08187016       0.73973826       0.28442384 
           0.24722102       0.90508448       0.51451663 
           0.08186649       0.73972117       0.43814395 
           0.24853683       0.90640493       0.36091268 
           0.08049887       0.74192005       0.59898272 
           0.24853683       0.90640493       0.20793501 
           0.41520350       0.07307159       0.28442384 
           0.58000217       0.24003207       0.51439858 
           0.41470046       0.07346195       0.43872831 
           0.58187016       0.23973826       0.36091268 
           0.41672114       0.07084276       0.59353814 
           0.58187016       0.23973826       0.20793501 
           0.41520350       0.40640493       0.28442384 
           0.57887608       0.57101386       0.51508659 
           0.41447068       0.40667252       0.43731864 
           0.58187016       0.57307159       0.36091268 
           0.42720412       0.37705685       0.61818360 
           0.58187016       0.57307159       0.20793501 
           0.41520350       0.73973826       0.28442384 
           0.58371410       0.90497089       0.51442641 
           0.41540006       0.73864150       0.43838730 
           0.58187016       0.90640493       0.36091268 
           0.41431690       0.73430189       0.59742981 
           0.58187016       0.90640493       0.20793501 
           0.74853683       0.07307159       0.28442384 
           0.91604200       0.23869481       0.51478711 
           0.74971014       0.07215424       0.43814541 
           0.91520350       0.23973826       0.36091268 
           0.75049914       0.07136854       0.59749139 
           0.91520350       0.23973826       0.20793501 
           0.74853683       0.40640493       0.28442384 
           0.91493265       0.57541922       0.51471643 
           0.74755358       0.40624641       0.43879915 
           0.91520350       0.57307159       0.36091268 
           0.74354501       0.40746871       0.59400125 
           0.91520350       0.57307159       0.20793501 
           0.74853683       0.73973826       0.28442384 
           0.91602178       0.90616655       0.51437512 
           0.74839660       0.73971998       0.43804092 
           0.91520350       0.90640493       0.36091268 
           0.75002668       0.73916406       0.59880312 
           0.91520350       0.90640493       0.20793501 
           0.08187016       0.07307159       0.20793501 
           0.25012193       0.24189020       0.59076835 
           0.08187016       0.07307159       0.36091268 
           0.24827056       0.23970323       0.43736780 
           0.08261314       0.07318754       0.51551194 
           0.24853683       0.23973826       0.28442384 
           0.08187016       0.40640493       0.20793501 
           0.24473258       0.57538988       0.59037734 
           0.08187016       0.40640493       0.36091268 
           0.24820630       0.57300292       0.43742059 
           0.08145573       0.40648906       0.51558755 
           0.24853683       0.57307159       0.28442384 
           0.08187016       0.73973826       0.20793501 
           0.24900641       0.90647970       0.59018068 
           0.08187016       0.73973826       0.36091268 
           0.24842542       0.90612065       0.43726786 
           0.08181852       0.73936412       0.51521317 
           0.24853683       0.90640493       0.28442384 
           0.41520350       0.07307159       0.20793501 
           0.58277900       0.23522543       0.58809271 
           0.41520350       0.07307159       0.36091268 
           0.58177577       0.23943430       0.43706833 
           0.41509270       0.07165057       0.51499559 
           0.58187016       0.23973826       0.28442384 
           0.41520350       0.40640493       0.20793501 
           0.58101178       0.57274318       0.58992993 
           0.41520350       0.40640493       0.36091268 
           0.58168752       0.57291621       0.43724931 
           0.41479705       0.40600568       0.51363445 
           0.58187016       0.57307159       0.28442384 
           0.41520350       0.73973826       0.20793501 
           0.58354594       0.90552501       0.58997393 
           0.41520350       0.73973826       0.36091268 
           0.58191676       0.90611024       0.43716661 
           0.41478552       0.73931209       0.51545762 
           0.58187016       0.90640493       0.28442384 
           0.74853683       0.07307159       0.20793501 
           0.91514339       0.23883380       0.59065481 
           0.74853683       0.07307159       0.36091268 
           0.91522570       0.23958339       0.43729296 
           0.74890766       0.07262717       0.51502622 
           0.91520350       0.23973826       0.28442384 
           0.74853683       0.40640493       0.20793501 
           0.91237032       0.57426666       0.58928877 
           0.74853683       0.40640493       0.36091268 
           0.91519751       0.57295849       0.43723130 
           0.74846310       0.40618568       0.51531654 
           0.91520350       0.57307159       0.28442384 
           0.74853683       0.73973826       0.20793501 
           0.91662046       0.90550366       0.58976797 
           0.74853683       0.73973826       0.36091268 
           0.91537860       0.90609410       0.43720553 
           0.74844856       0.73921184       0.51507115 
           0.91520350       0.90640493       0.28442384 
           0.08931706       0.08035606       0.66880289 
           0.06085892       0.41045124       0.66754571 
           0.08526929       0.74481638       0.66862431 
           0.42632558       0.11013165       0.66412169 
           0.38327883       0.42056321       0.68340353 
           0.41820883       0.74720405       0.66724385 
           0.75336529       0.06619701       0.66794297 
           0.69569061       0.38947685       0.66436630 
           0.75175139       0.72464820       0.66750043 
           0.09502682       0.17853122       0.68732645 
           0.09956988       0.98620734       0.68919703 
           0.96254612       0.38842424       0.68098779 
           0.09354654       0.49539573       0.68222132 
           0.18673794       0.73770862       0.68515710 
           0.00194073       0.75240245       0.68893823 
           0.33052927       0.10237609       0.68306738 
           0.51588076       0.12431382       0.68211145 
           0.29850729       0.37819059       0.68979098 
           0.34626176       0.54025456       0.77438420 
           0.41086390       0.84702458       0.68373212 
           0.45681262       0.68100089       0.68435858 
           0.70664209       0.98542962       0.68431190 
           0.85772170       0.07930582       0.68162161 
           0.72296709       0.28906358       0.67915282 
           0.65063038       0.45235795       0.68247785 
           0.70173655       0.76789346       0.68646471 
           0.79517781       0.64776280       0.68728122 
           0.33382696       0.09577037       0.82090935 
           0.23160839       0.54714227       0.78620991 
           0.84705676       0.56990508       0.80916002 
           0.21614551       0.52070698       0.93278521 
           0.12766635       0.57937378       0.91549107 
           0.21691818       0.63374653       0.92540283 
           0.63527858       0.44856252       0.83484559 
           0.56061012       0.51479888       0.78690037 
           0.61898927       0.36443675       0.81138517 
           0.56341828       0.35163178       0.88445348 
           0.54861921       0.25326148       0.85818759 
           0.41525513       0.32868526       0.86838360 
           0.44878263       0.44470551       0.81972125 
           0.40525655       0.57240065       0.83141706 
           0.33691029       0.53474520       0.88689499 
           0.30786994       0.55625050       0.80924592 
           0.22353640       0.56590584       0.90568700 
           0.58451059       0.44624451       0.81102068 
           0.50105014       0.33580200       0.86093397 
   
  
  
           1 
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           3 
           4 
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         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
       38
       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
        -5
         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 
   
  
  
          0.08187016       0.07307159       0.28442384 
          0.25005278       0.24177711       0.51523447 
          0.08153915       0.07315322       0.43824150 
          0.24853683       0.23973826       0.36091268 
          0.08372827       0.07363253       0.59920834 
          0.24853683       0.23973826       0.20793501 
          0.08187016       0.40640493       0.28442384 
          0.24924305       0.57089263       0.51554753 
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          0.50105014       0.33580200       0.86093397 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      60.48   60.48
      61.46   61.46
   
       2759.81566181 
     467013.75722207 
    -562829.15096151 
       4807.23008570 
      82476.61415358 
     -81482.61018823 
         -0.00727869 
      -2055.03797737 
     104348.45207405 
      15039.06279140 
      15039.07007009 
      15039.06521763 
   
  
  
      59.70   59.70
      59.70   59.70
   
       1690.60404775 
       1690.61948357 
       1690.60919303