vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:11:32 
 
 
  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 
    
   
   
           0.78316024       0.48302545       0.14305798 
           0.78620608       0.19978707       0.41134885 
           0.02045717       0.55787984       0.27670236 
           0.02757685       0.21562841       0.27601569 
           0.89045375       0.37238558       0.24957408 
           0.91880834       0.42943551       0.40079578 
           0.25595337       0.39019256       0.21621633 
           0.18557011       0.46912278       0.34919693 
           0.08802173       0.45192564       0.62950140 
           0.85165014       0.50679232       0.87105480 
           0.33772381       0.51727154       0.71041125 
           0.31576736       0.35972950       0.79587301 
           0.85975444       0.30442566       0.51516378 
           0.82359457       0.41333257       0.86220876 
           0.07451932       0.43898912       0.62067022 
           0.14694747       0.48574144       0.90631260 
           0.21949912       0.51042623       0.10264565 
           0.23773305       0.22595041       0.45655283 
           0.50404579       0.53701103       0.18676823 
           0.47927422       0.26741483       0.39786706 
           0.40673517       0.31941224       0.96810256 
           0.46876438       0.55080217       0.52153576 
           0.52505019       0.37301000       0.23885888 
           0.62640298       0.44447758       0.33892483 
           0.53965085       0.47162629       0.58148315 
           0.37743643       0.17262165       0.85640235 
           0.65731546       0.57238643       0.61059119 
           0.40991535       0.37140025       0.74660805 
           0.30152948       0.37349067       0.44716412 
           0.39274407       0.44238503       0.94715754 
           0.53549002       0.47752969       0.58773681 
           0.53707389       0.49082795       0.82093616 
           0.38747091       0.70138428       0.54587684 
           0.32613275       0.47133843       0.55228789 
           0.42438864       0.49624667       0.67867104 
           0.52223313       0.50938044       0.53891624 
           0.48879482       0.35041834       0.60159393 
   
  
  
           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 
   
  
  
          0.78316024       0.48302545       0.14305798 
          0.78620608       0.19978707       0.41134885 
          0.02045717       0.55787984       0.27670236 
          0.02757685       0.21562841       0.27601569 
          0.89045375       0.37238558       0.24957408 
          0.91880834       0.42943551       0.40079578 
          0.25595337       0.39019256       0.21621633 
          0.18557011       0.46912278       0.34919693 
          0.08802173       0.45192564       0.62950140 
          0.85165014       0.50679232       0.87105480 
          0.33772381       0.51727154       0.71041125 
          0.31576736       0.35972950       0.79587301 
          0.85975444       0.30442566       0.51516378 
          0.82359457       0.41333257       0.86220876 
          0.07451932       0.43898912       0.62067022 
          0.14694747       0.48574144       0.90631260 
          0.21949912       0.51042623       0.10264565 
          0.23773305       0.22595041       0.45655283 
          0.50404579       0.53701103       0.18676823 
          0.47927422       0.26741483       0.39786706 
          0.40673517       0.31941224       0.96810256 
          0.46876438       0.55080217       0.52153576 
          0.52505019       0.37301000       0.23885888 
          0.62640298       0.44447758       0.33892483 
          0.53965085       0.47162629       0.58148315 
          0.37743643       0.17262165       0.85640235 
          0.65731546       0.57238643       0.61059119 
          0.40991535       0.37140025       0.74660805 
          0.30152948       0.37349067       0.44716412 
          0.39274407       0.44238503       0.94715754 
          0.53549002       0.47752969       0.58773681 
          0.53707389       0.49082795       0.82093616 
          0.38747091       0.70138428       0.54587684 
          0.32613275       0.47133843       0.55228789 
          0.42438864       0.49624667       0.67867104 
          0.52223313       0.50938044       0.53891624 
          0.48879482       0.35041834       0.60159393 
  
 
 
  
       3.55    3.65
       4.17    4.27
   
         24.95083145 
      11972.68716267 
     -12607.61730662 
       -284.70533766 
       2937.01645563 
      -2374.63634374 
         -0.01407975 
       -178.62393460 
       3495.14563384 
       2984.20308121 
       2984.21716096 
       2984.20777446 
   
  
  
       8.18    8.18
       8.18    8.19
   
       2107.71984247 
       2107.73197876 
       2107.72388790 
   
  
  
      10.30   10.30
      10.30   10.30
   
       1882.87081512 
       1882.87361109 
       1882.87174711 
   
  
  
       8.43    8.43
       8.43    8.43
   
       1840.34121939 
       1840.31596758 
       1840.33280212 
   
  
  
       8.28    8.28
       8.39    8.39
   
       1837.53831190 
       1837.52151149 
       1837.53271176 
   
  
  
       8.11    8.11
       8.85    8.85
   
       1883.82209843 
       1883.80257778 
       1883.81559155 
   
  
  
       5.95    5.95
       6.69    6.69
   
       1988.28840608 
       1988.28991821 
       1988.28891013 
   
  
  
       7.69    7.69
       8.43    8.43
   
       1994.89642585 
       1994.87760342 
       1994.89015171 
   
  
  
       7.59    7.59
       8.31    8.31
   
       1993.07699088 
       1993.05250989 
       1993.06883055 
   
  
  
       7.93    7.93
       8.65    8.65
   
       1991.56929371 
       1991.60247139 
       1991.58035294 
   
  
  
       7.30    7.30
       8.05    8.05
   
       1972.14151094 
       1972.14059318 
       1972.14120502 
   
  
  
       7.11    7.11
       7.85    7.85
   
       1968.68993031 
       1968.66119352 
       1968.68035138 
   
  
  
       7.87    7.87
       8.61    8.61
   
       1948.74697231 
       1948.74440649 
       1948.74611704 
   
  
  
       8.75    8.75
       9.49    9.49
   
       1701.47947624 
       1701.47209984 
       1701.47701744 
   
  
  
       5.83    5.83
       6.57    6.57
   
       3023.88146897 
       3023.90648564 
       3023.88980786 
   
  
  
       8.47    8.47
       9.22    9.22
   
       1847.99652458 
       1848.00023668 
       1847.99776194 
   
  
  
       7.49    7.49
       8.23    8.23
   
       1843.49332234 
       1843.48387798 
       1843.49017422 
   
  
  
       7.78    7.78
       8.52    8.51
   
       1691.54844655 
       1691.54099551 
       1691.54596287 
   
  
  
       5.19    5.19
       5.93    5.93
   
       1820.74335388 
       1820.72535135 
       1820.73735304 
   
  
  
       5.25    5.25
       5.99    5.99
   
       1797.78674448 
       1797.79378304 
       1797.78909067 
   
  
  
       4.53    4.53
       5.28    5.28
   
       1906.49199908 
       1906.47622743 
       1906.48674186 
   
  
  
       5.06    5.06
       5.80    5.80
   
       2053.54411766 
       2053.53955606 
       2053.54259712 
   
  
  
       4.84    4.85
       5.62    5.62
   
       2027.82691280 
       2027.82819484 
       2027.82734015 
   
  
  
       5.13    5.13
       5.88    5.88
   
       2006.17489220 
       2006.19269372 
       2006.18082604 
   
  
  
       5.24    5.24
       5.99    5.99
   
       1998.19047486 
       1998.20647486 
       1998.19580819 
   
  
  
       5.70    5.70
       6.45    6.45
   
       1988.60766726 
       1988.60746678 
       1988.60760043 
   
  
  
       5.14    5.14
       5.89    5.90
   
       2010.47898132 
       2010.46216330 
       2010.47337531 
   
  
  
       4.87    4.87
       5.63    5.63
   
       2005.88917689 
       2005.85626929 
       2005.87820769 
   
  
  
       5.14    5.14
       5.92    5.92
   
       2003.25045295 
       2003.27754132 
       2003.25948241 
   
  
  
       4.81    4.81
       5.58    5.58
   
       2001.73162237 
       2001.71967428 
       2001.72763967 
   
  
  
       5.48    5.48
       6.26    6.26
   
       2002.03179582 
       2002.02469596 
       2002.02942920 
   
  
  
       4.47    4.48
       5.27    5.27
   
       2002.24168187 
       2002.23425471 
       2002.23920615 
   
  
  
       4.24    4.24
       5.01    5.01
   
       2001.83932671 
       2001.83530680 
       2001.83798674 
   
  
  
       5.04    5.04
       5.81    5.81
   
       2000.96473245 
       2000.94821500 
       2000.95922663 
   
  
  
       4.39    4.39
       5.20    5.20
   
       2001.16644902 
       2001.15106357 
       2001.16132054 
   
  
  
       3.84    3.84
       4.63    4.63
   
       2000.49876222 
       2000.50095548 
       2000.49949331 
   
  
  
       3.96    3.96
       4.78    4.78
   
       2001.07647549 
       2001.07976959 
       2001.07757352 
   
  
  
       4.60    4.60
       5.39    5.39
   
       2002.91826008 
       2002.92126165 
       2002.91926060 
   
  
  
       4.96    4.96
       5.77    5.77
   
       2003.35531064 
       2003.35056484 
       2003.35372870 
   
  
  
       5.41    5.41
       6.23    6.23
   
       2003.27594386 
       2003.26978242 
       2003.27389004 
   
  
  
       5.06    5.06
       5.87    5.87
   
       2003.25144821 
       2003.24482453 
       2003.24924032 
   
  
  
       5.06    5.07
       5.87    5.87
   
       2005.42225077 
       2005.39163930 
       2005.41204695 
   
  
  
       3.32    3.32
       4.11    4.11
   
       2002.73484604 
       2002.72812327 
       2002.73260512 
   
  
  
       3.08    3.08
       3.84    3.84
   
       2003.48605236 
       2003.49374256 
       2003.48861576 
   
  
  
       2.51    2.51
       3.27    3.27
   
       2005.22527215 
       2005.19109892 
       2005.21388108 
   
  
  
       1.96    1.96
       2.74    2.74
   
       2003.47886433 
       2003.45348294 
       2003.47040387