vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  06:09:30 
 
 
  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      0.73000000      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      0.10700000
  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 
    
   
   
           0.47662986       0.52759577       0.28160605 
           0.30147743       0.61048463       0.23954535 
           0.06512003       0.75545825       0.98300857 
           0.32111984       0.60058587       0.92684966 
           0.25412082       0.36913820       0.05680186 
           0.56458161       0.92596453       0.73477271 
           0.21558200       0.87204103       0.46317582 
           0.17668767       0.50384831       0.14579571 
           0.52483296       0.80784748       0.69225522 
           0.09720056       0.98542004       0.16174957 
           0.15271155       0.09288594       0.29025815 
           0.78262119       0.61066775       0.62913835 
           0.74104257       0.76962833       0.74884616 
           0.42714378       0.94120686       0.80263933 
           0.31294277       0.00362893       0.20960658 
           0.62854869       0.34565222       0.65773547 
           0.12425887       0.26865274       0.36457755 
           0.67497402       0.38262284       0.77722111 
           0.69080786       0.18289387       0.83881731 
           0.23590396       0.94115015       0.79556054 
           0.06304163       0.21225826       0.05043473 
           0.95087530       0.59727403       0.56735359 
           0.67365646       0.78167370       0.63783513 
           0.74109178       0.54227512       0.39517971 
           0.00967400       0.54258554       0.99777132 
           0.31837988       0.02991863       0.18713170 
           0.23484285       0.81998735       0.27522527 
           0.98544697       0.59456591       0.55192537 
           0.81833770       0.88406356       0.95557456 
           0.63140624       0.96581780       0.68606277 
           0.03519097       0.87578885       0.60825439 
           0.69249159       0.36123785       0.71882306 
           0.21115357       0.26799709       0.07387053 
           0.11389352       0.09161129       0.24746337 
           0.54170780       0.32375290       0.77221536 
   
  
  
           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 
  
 
 
  
          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
       605.39200000
         0.00001000
       38
       10
       88
       -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      0.10700000
         -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      0.73000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      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
        27.99362752
         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  
  
 
 
        35 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       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 
   
  
  
          0.47662986       0.52759577       0.28160605 
          0.30147743       0.61048463       0.23954535 
          0.06512003       0.75545825       0.98300857 
          0.32111984       0.60058587       0.92684966 
          0.25412082       0.36913820       0.05680186 
          0.56458161       0.92596453       0.73477271 
          0.21558200       0.87204103       0.46317582 
          0.17668767       0.50384831       0.14579571 
          0.52483296       0.80784748       0.69225522 
          0.09720056       0.98542004       0.16174957 
          0.15271155       0.09288594       0.29025815 
          0.78262119       0.61066775       0.62913835 
          0.74104257       0.76962833       0.74884616 
          0.42714378       0.94120686       0.80263933 
          0.31294277       0.00362893       0.20960658 
          0.62854869       0.34565222       0.65773547 
          0.12425887       0.26865274       0.36457755 
          0.67497402       0.38262284       0.77722111 
          0.69080786       0.18289387       0.83881731 
          0.23590396       0.94115015       0.79556054 
          0.06304163       0.21225826       0.05043473 
          0.95087530       0.59727403       0.56735359 
          0.67365646       0.78167370       0.63783513 
          0.74109178       0.54227512       0.39517971 
          0.00967400       0.54258554       0.99777132 
          0.31837988       0.02991863       0.18713170 
          0.23484285       0.81998735       0.27522527 
          0.98544697       0.59456591       0.55192537 
          0.81833770       0.88406356       0.95557456 
          0.63140624       0.96581780       0.68606277 
          0.03519097       0.87578885       0.60825439 
          0.69249159       0.36123785       0.71882306 
          0.21115357       0.26799709       0.07387053 
          0.11389352       0.09161129       0.24746337 
          0.54170780       0.32375290       0.77221536 
  
 
 
  
       5.84    5.90
       6.33    6.39
   
         24.76344702 
        181.28550296 
      -2172.95534128 
       -291.84875835 
       3170.77583059 
      -2609.60722799 
         -0.01169760 
       -236.04438723 
       3755.32434067 
       1821.68170881 
       1821.69340641 
       1821.68560801 
   
  
  
       7.82    7.89
       7.82    7.89
   
       1063.73707805 
       1063.74087166 
       1063.73834259 
   
  
  
       9.36    9.41
       9.36    9.42
   
        843.17867412 
        843.17344519 
        843.17693115 
   
  
  
       7.84    7.91
       7.84    7.91
   
        819.41693728 
        819.39619681 
        819.41002379 
   
  
  
       7.91    7.97
       8.03    8.09
   
        818.55325202 
        818.53242478 
        818.54630961 
   
  
  
       8.74    8.81
       9.33    9.40
   
        906.11477163 
        906.09415544 
        906.10789957 
   
  
  
       7.96    8.02
       8.53    8.59
   
        950.26940683 
        950.27457008 
        950.27112791 
   
  
  
       8.49    8.54
       9.06    9.12
   
        894.78706965 
        894.77289715 
        894.78234548 
   
  
  
       7.13    7.20
       7.70    7.77
   
        921.07289409 
        921.08121183 
        921.07566667 
   
  
  
       8.46    8.52
       9.02    9.10
   
        921.91976965 
        921.99075850 
        921.94343260 
   
  
  
       8.01    8.07
       8.59    8.64
   
        972.62617376 
        972.60185045 
        972.61806599 
   
  
  
       7.38    7.44
       7.94    8.01
   
        971.26257426 
        971.28546616 
        971.27020490 
   
  
  
       7.92    7.98
       8.48    8.55
   
        971.90020315 
        971.86287787 
        971.88776139 
   
  
  
       7.43    7.49
       7.99    8.06
   
        968.74789582 
        968.71868993 
        968.73816052 
   
  
  
       7.56    7.61
       8.12    8.18
   
        969.07465558 
        969.03546112 
        969.06159076 
   
  
  
       7.60    7.66
       8.16    8.23
   
        974.35538024 
        974.32459283 
        974.34511777 
   
  
  
       8.18    8.24
       8.75    8.81
   
        974.87595523 
        974.89709262 
        974.88300103 
   
  
  
       7.79    7.85
       8.38    8.44
   
        967.94912782 
        967.94769442 
        967.94865002 
   
  
  
       7.77    7.82
       8.34    8.40
   
        963.08722842 
        963.04366128 
        963.07270604 
   
  
  
       7.36    7.44
       7.93    8.01
   
        962.28800089 
        962.26871087 
        962.28157088 
   
  
  
       8.35    8.41
       8.92    8.98
   
        960.37392585 
        960.37471345 
        960.37418838 
   
  
  
       7.27    7.33
       7.84    7.90
   
        957.38883120 
        957.35772764 
        957.37846335 
   
  
  
       7.61    7.66
       8.19    8.24
   
        957.43116102 
        957.39150239 
        957.41794148 
   
  
  
       7.67    7.73
       8.24    8.32
   
        956.16295116 
        956.15345342 
        956.15978525 
   
  
  
       6.98    7.04
       7.57    7.64
   
        951.14946474 
        951.09709775 
        951.13200907 
   
  
  
       4.72    4.78
       5.37    5.44
   
        952.08499702 
        952.03856353 
        952.06951919 
   
  
  
       5.18    5.24
       5.75    5.81
   
        952.00322179 
        951.95865911 
        951.98836757 
   
  
  
       5.01    5.07
       5.58    5.64
   
        954.59910219 
        954.55504718 
        954.58441718 
   
  
  
       4.76    4.81
       5.34    5.40
   
        956.06601884 
        956.01218698 
        956.04807489 
   
  
  
       4.30    4.36
       4.88    4.94
   
        956.29713361 
        956.27711375 
        956.29046033 
   
  
  
       5.47    5.54
       6.06    6.13
   
        955.39101240 
        955.40444310 
        955.39548930 
   
  
  
       4.10    4.16
       4.68    4.74
   
        958.21785339 
        958.24883958 
        958.22818212 
   
  
  
       2.93    3.00
       3.57    3.64
   
        957.12534953 
        957.13327267 
        957.12799058 
   
  
  
       2.81    2.87
       3.43    3.50
   
        954.28389817 
        954.27772700 
        954.28184112 
   
  
  
       3.94    3.99
       4.50    4.55
   
        954.69726357 
        954.69948997 
        954.69800570 
   
  
  
       3.33    3.38
       3.89    3.94
   
        953.79060077 
        953.78877124 
        953.78999092 
   
  
  
       2.96    3.00
       3.52    3.57
   
        952.05691299 
        952.01882536 
        952.04421712 
   
  
  
       3.23    3.28
       3.80    3.85
   
        952.29603095 
        952.25590408 
        952.28265533 
   
  
  
       2.88    2.93
       3.46    3.51
   
        953.48722432 
        953.45140936 
        953.47528600 
   
  
  
       3.09    3.15
       3.66    3.72
   
        956.60106059 
        956.57314552 
        956.59175557 
   
  
  
       3.34    3.39
       3.92    3.97
   
        965.09900187 
        965.10710272 
        965.10170216 
   
  
  
       3.66    3.71
       4.24    4.29
   
        970.15793188 
        970.18419401 
        970.16668592 
   
  
  
       3.51    3.57
       4.09    4.15
   
        967.72513143 
        967.76441162 
        967.73822483 
   
  
  
       3.04    3.09
       3.61    3.67
   
        961.64958409 
        961.68167766 
        961.66028195 
   
  
  
       3.26    3.32
       3.85    3.91
   
        951.38676091 
        951.41001199 
        951.39451127 
   
  
  
       3.46    3.51
       4.04    4.10
   
        950.24380997 
        950.26080731 
        950.24947575 
   
  
  
       3.40    3.45
       3.98    4.04
   
        950.38870509 
        950.40663809 
        950.39468276 
   
  
  
       2.97    3.04
       3.57    3.64
   
        948.27246124 
        948.28122121 
        948.27538123 
   
  
  
       3.16    3.22
       3.75    3.81
   
        948.14490440 
        948.15714591 
        948.14898490 
   
  
  
       2.78    2.83
       3.36    3.42
   
        947.58517019 
        947.60284880 
        947.59106306 
   
  
  
       3.03    3.08
       3.61    3.67
   
        958.90212208 
        958.87630493 
        958.89351636 
   
  
  
       3.19    3.24
       3.77    3.82
   
       1006.42068046 
       1006.43922983 
       1006.42686359 
   
  
  
       3.55    3.60
       4.13    4.18
   
       1015.82819777 
       1015.86900035 
       1015.84179863 
   
  
  
       4.06    4.12
       4.66    4.71
   
       1016.22155926 
       1016.25968836 
       1016.23426896 
   
  
  
       3.01    3.06
       3.60    3.65
   
       1013.40996603 
       1013.44130593 
       1013.42041266 
   
  
  
       3.92    3.97
       4.50    4.55
   
     -11099.23457142 
     -11099.24311287 
     -11099.23741857 
   
  
  
       3.45    3.51
       4.03    4.09
   
       1205.85672873 
       1205.88989797 
       1205.86778514 
   
  
  
       4.01    4.06
       4.59    4.65
   
       1367.83160380 
       1367.85486676 
       1367.83935812 
   
  
  
       3.72    3.77
       4.31    4.36
   
       1374.45675481 
       1374.46611286 
       1374.45987416 
   
  
  
       4.00    4.05
       4.59    4.65
   
       1346.40340229 
       1346.40007643 
       1346.40229367