vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  05:00:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.80687777       0.52117781       0.13343193 
           0.81476927       0.19927046       0.45111570 
           0.03956048       0.55654526       0.23589867 
           0.05574402       0.23260149       0.32207779 
           0.88055592       0.33888492       0.13671458 
           0.91137402       0.44224259       0.40857027 
           0.17932071       0.34593651       0.21941426 
           0.23468766       0.45836193       0.35141511 
           0.99174647       0.46990324       0.63182874 
           0.92374432       0.39244608       0.87284938 
           0.44090557       0.50933472       0.61308345 
           0.21925177       0.28639254       0.78435902 
           0.87514482       0.32249272       0.50173054 
           0.82367470       0.43646090       0.96455929 
           0.16557632       0.36382388       0.59931549 
           0.07178218       0.41170052       0.78961273 
           0.28091894       0.51488475       0.11750886 
           0.28619400       0.21940778       0.47599643 
           0.52909267       0.54820704       0.21864977 
           0.53826150       0.26057066       0.36897766 
           0.39348803       0.32361133       0.05759518 
           0.40541351       0.56673198       0.55079648 
           0.58681445       0.34332309       0.22531626 
           0.60243695       0.45280326       0.33661809 
           0.40641204       0.68540489       0.55145393 
           0.43312094       0.22807693       0.90238801 
           0.37935275       0.57486745       0.58095307 
           0.60339395       0.33193821       0.79676803 
           0.39925785       0.36382093       0.48752372 
           0.30256165       0.42333521       0.96188780 
           0.60260509       0.40312947       0.61758879 
           0.56011357       0.45224481       0.79434452 
           0.38549951       0.56280206       0.57000419 
           0.20069850       0.56884887       0.49900627 
           0.37140669       0.59665737       0.74084816 
           0.58820437       0.60235300       0.49898405 
           0.44388026       0.41461072       0.59159985 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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
         1.11000000      0.77000000      0.32000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        26.48045847
         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
      200
        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  
  
 
 
        37 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.80687777       0.52117781       0.13343193 
          0.81476927       0.19927046       0.45111570 
          0.03956048       0.55654526       0.23589867 
          0.05574402       0.23260149       0.32207779 
          0.88055592       0.33888492       0.13671458 
          0.91137402       0.44224259       0.40857027 
          0.17932071       0.34593651       0.21941426 
          0.23468766       0.45836193       0.35141511 
          0.99174647       0.46990324       0.63182874 
          0.92374432       0.39244608       0.87284938 
          0.44090557       0.50933472       0.61308345 
          0.21925177       0.28639254       0.78435902 
          0.87514482       0.32249272       0.50173054 
          0.82367470       0.43646090       0.96455929 
          0.16557632       0.36382388       0.59931549 
          0.07178218       0.41170052       0.78961273 
          0.28091894       0.51488475       0.11750886 
          0.28619400       0.21940778       0.47599643 
          0.52909267       0.54820704       0.21864977 
          0.53826150       0.26057066       0.36897766 
          0.39348803       0.32361133       0.05759518 
          0.40541351       0.56673198       0.55079648 
          0.58681445       0.34332309       0.22531626 
          0.60243695       0.45280326       0.33661809 
          0.40641204       0.68540489       0.55145393 
          0.43312094       0.22807693       0.90238801 
          0.37935275       0.57486745       0.58095307 
          0.60339395       0.33193821       0.79676803 
          0.39925785       0.36382093       0.48752372 
          0.30256165       0.42333521       0.96188780 
          0.60260509       0.40312947       0.61758879 
          0.56011357       0.45224481       0.79434452 
          0.38549951       0.56280206       0.57000419 
          0.20069850       0.56884887       0.49900627 
          0.37140669       0.59665737       0.74084816 
          0.58820437       0.60235300       0.49898405 
          0.44388026       0.41461072       0.59159985 
  
 
 
  
       6.24    6.29
       6.87    6.93
   
         24.95083145 
      10595.57932288 
     -11784.90990604 
       -282.18109846 
       2937.01645563 
      -2374.63634374 
          0.00194700 
       -173.72595005 
       3495.14563384 
       2437.24089251 
       2437.23894551 
       2437.24024351 
   
  
  
       8.08    8.08
       8.08    8.08
   
       1451.60694914 
       1451.60569949 
       1451.60653259 
   
  
  
       8.01    8.01
       8.01    8.01
   
       1050.09626484 
       1050.09514893 
       1050.09589287 
   
  
  
       7.75    7.75
       7.75    7.75
   
        950.91741248 
        950.91725095 
        950.91735864 
   
  
  
       7.45    7.45
       7.57    7.57
   
        920.61274101 
        920.60277145 
        920.60941783 
   
  
  
       5.84    5.84
       6.55    6.55
   
       1214.65664691 
       1214.66172944 
       1214.65834109