vasp 
  6.3.2  
  27Jun22 (build Oct 31 2022 01:10:08) complex                          parallel 
  Lin64 
  2023 06 24 
  13:54:15 
 
 
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
    1000
       2
       2
        0.00001000
       -0.02000000
    1000
       3
       1
      400.00000000
        1.64000000      1.26000000      0.73000000
        0.01200000     -0.02200000     -0.00600000     -0.01900000      0.00000000      0.00000000     -0.00100000      0.00000000      0.00600000      0.00200000      0.02000000      0.01400000      0.58500000      0.18800000      0.00300000      0.04600000      0.00500000      0.00100000      0.00000000      0.00000000

   F  
       0
        0.05000000
       1
   F  
   F  
   F  
       1
   T  
       2
      -1    -1    -1
        0.00000000      0.00000000      0.00000000
        0.00000000      0.00000000      0.00000000
 
 
  
   
    
           12.34422659       0.00000000      -0.35425536 
            0.00000000       3.09829954       0.00000000 
           -1.54236328       0.00000000       5.80401989 
    
        220.28831093 
    
            0.08163208       0.00000000       0.02169295 
            0.00000000       0.32275769       0.00000000 
            0.00498251       0.00000000       0.17361843 
    
   
   
           0.13957700       0.50000000       0.24770470 
           0.34382047       0.00000000       0.65586976 
           0.10297348       0.00000000       0.77108230 
           0.39792680       0.50000000       0.18529168 
           0.65024943       0.00000000       0.33855118 
           0.84175181       0.50000000       0.70677749 
           0.59649845       0.50000000       0.81624491 
           0.87964927       0.00000000       0.21858032 
           0.48886516       0.00000000       0.24438995 
           0.01637887       0.50000000       0.79772705 
           0.17572495       0.00000000       0.54792805 
           0.33992173       0.50000000       0.43914396 
           0.34935674       0.50000000       0.86271566 
           0.21894045       0.00000000       0.05005094 
           0.96227437       0.50000000       0.28301707 
           0.51134732       0.00000000       0.75334765 
           0.66638705       0.50000000       0.57424790 
           0.82092762       0.00000000       0.47511054 
           0.82737529       0.00000000       0.89789155 
           0.67005373       0.50000000       0.13432734 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          2        5        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.20000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.20000000       0.00000000 
          0.50000000       0.20000000       0.00000000 
          0.00000000       0.40000000       0.00000000 
          0.50000000       0.40000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.20000000       0.33333333 
          0.50000000       0.20000000       0.33333333 
          0.00000000       0.40000000       0.33333333 
          0.50000000       0.40000000       0.33333333 
  
  
          0.03333333 
          0.03333333 
          0.06666667 
          0.06666667 
          0.06666667 
          0.06666667 
          0.06666667 
          0.06666667 
          0.13333333 
          0.13333333 
          0.13333333 
          0.13333333 
  
 
 
  
   unknown system
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       11
      128
       -1
       -1
       174.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.01200000     -0.02200000     -0.00600000     -0.01900000      0.00000000      0.00000000     -0.00100000      0.00000000      0.00600000      0.00200000      0.02000000      0.01400000      0.58500000      0.18800000      0.00300000      0.04600000      0.00500000      0.00100000      0.00000000      0.00000000

         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
      1000
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000002
           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
   
  
  
       60
       16
       30
      120
       32
       60
    F  
  
  
     1000
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
     1000
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.64000000      1.26000000      0.73000000
      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
  
  
       64
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       144.24000000     69.72300000     16.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   T  
       2
      -1
        0.00000000
        0.00000000
       0
       0
  
   --
        1
    F  
   
    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
         6.60864933
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        20 
         3 
  
   ion
   element
   atomtype
   
    Nd   1
    Ga   2
    Ga   2
    Ga   2
    Ga   2
    Ga   2
    Ga   2
    Ga   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Nd    144.24000000     11.00000000  PAW_PBE Nd_3 06Sep2000                
       7Ga     69.72300000     13.00000000  PAW_PBE Ga_d 06Jul2010                
      12O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          12.34422659       0.00000000      -0.35425536 
           0.00000000       3.09829954       0.00000000 
          -1.54236328       0.00000000       5.80401989 
   
       220.28831093 
   
           0.08163208       0.00000000       0.02169295 
           0.00000000       0.32275769       0.00000000 
           0.00498251       0.00000000       0.17361843 
   
  
  
          0.13957700       0.50000000       0.24770470 
          0.34382047       0.00000000       0.65586976 
          0.10297348       0.00000000       0.77108230 
          0.39792680       0.50000000       0.18529168 
          0.65024943       0.00000000       0.33855118 
          0.84175181       0.50000000       0.70677749 
          0.59649845       0.50000000       0.81624491 
          0.87964927       0.00000000       0.21858032 
          0.48886516       0.00000000       0.24438995 
          0.01637887       0.50000000       0.79772705 
          0.17572495       0.00000000       0.54792805 
          0.33992173       0.50000000       0.43914396 
          0.34935674       0.50000000       0.86271566 
          0.21894045       0.00000000       0.05005094 
          0.96227437       0.50000000       0.28301707 
          0.51134732       0.00000000       0.75334765 
          0.66638705       0.50000000       0.57424790 
          0.82092762       0.00000000       0.47511054 
          0.82737529       0.00000000       0.89789155 
          0.67005373       0.50000000       0.13432734 
  
 
 
  
       2.80    2.82
       2.82    2.85
   
        985.89802994 
     -14164.93049559 
      -5337.35685459 
        674.16714022 
      16101.01865261 
     -18425.20229382 
         -0.00499239 
         45.93366867 
      21163.04363286 
       1042.56648790 
       1042.57148029 
       1042.56898410 
   
  
  
       3.68    3.70
       3.68    3.70
   
        -80.36575682 
        -80.36575682 
        -80.36575682 
   
  
  
       3.00    3.02
       3.00    3.02
   
       -141.04043306 
       -141.04043306 
       -141.04043306 
   
  
  
       5.51    5.53
       5.51    5.53
   
       -141.98873741 
       -141.98873741 
       -141.98873741 
   
  
  
       3.06    3.07
       3.09    3.10
   
       -141.99400659 
       -141.99400659 
       -141.99400659 
   
  
  
       5.17    5.19
       5.22    5.25
   
       -123.20515964 
       -123.20515964 
       -123.20515964 
   
  
  
       4.29    4.34
       4.33    4.39
   
       -122.95133640 
       -122.95133640 
       -122.95133640 
   
  
  
       5.75    5.77
       5.79    5.83
   
       -122.75664304 
       -122.75664304 
       -122.75664304 
   
  
  
       3.49    3.51
       3.54    3.56
   
       -122.75486770 
       -122.75486770 
       -122.75486770 
   
  
  
       4.82    4.84
       4.86    4.89
   
       -122.75607245 
       -122.75607245 
       -122.75607245 
   
  
  
       4.90    4.92
       4.94    4.97
   
       -122.75679144 
       -122.75679144 
       -122.75679144 
   
  
  
       5.13    5.15
       5.18    5.20
   
       -122.75707074 
       -122.75707074 
       -122.75707074 
   
  
  
       5.18    5.20
       5.23    5.25
   
       -122.75708881 
       -122.75708881 
       -122.75708881 
   
  
  
       5.22    5.24
       5.25    5.28
   
        985.89802994 
     -14164.93049559 
      -5416.72404295 
        683.98985287 
      19400.04620359 
     -21766.70250288 
         -0.00000000 
      -1007.37777103 
      21163.04363286 
       -122.75709319 
       -122.75709319 
       -122.75709319 
   
  
  
   
    
           12.34422659       0.00000000      -0.35425536 
            0.00000000       3.09829954       0.00000000 
           -1.54236328       0.00000000       5.80401989 
    
        220.28831093 
    
            0.08163208       0.00000000       0.02169295 
            0.00000000       0.32275769       0.00000000 
            0.00498251       0.00000000       0.17361843 
    
   
   
           0.13957700       0.50000000       0.24770470 
           0.34382047       0.00000000       0.65586976 
           0.10297348       0.00000000       0.77108230 
           0.39792680       0.50000000       0.18529168 
           0.65024943       0.00000000       0.33855118 
           0.84175181       0.50000000       0.70677749 
           0.59649845       0.50000000       0.81624491 
           0.87964927       0.00000000       0.21858032 
           0.48886516       0.00000000       0.24438995 
           0.01637887       0.50000000       0.79772705 
           0.17572495       0.00000000       0.54792805 
           0.33992173       0.50000000       0.43914396 
           0.34935674       0.50000000       0.86271566 
           0.21894045       0.00000000       0.05005094 
           0.96227437       0.50000000       0.28301707 
           0.51134732       0.00000000       0.75334765 
           0.66638705       0.50000000       0.57424790 
           0.82092762       0.00000000       0.47511054 
           0.82737529       0.00000000       0.89789155 
           0.67005373       0.50000000       0.13432734 
   
  
  
          0.97424520       0.00000000      -0.64291711 
          1.67704286       0.00000000       1.92234932 
          0.45193211       0.00000000       0.11853610 
          1.05205536       0.00000000      -0.80215015 
         -0.76787902       0.00000000      -0.21354306 
         -0.94706543       0.00000000      -0.39046041 
         -0.98851781       0.00000000      -0.24704683 
         -1.35721297       0.00000000      -0.20670897 
         -0.01004169       0.00000000       0.14372679 
          0.11600643       0.00000000       0.10003370 
         -0.70286510       0.00000000      -0.33493894 
         -0.74651670       0.00000000      -0.46047044 
         -0.35232490       0.00000000      -0.33004564 
         -1.68370596       0.00000000       0.55106559 
          0.42061397       0.00000000       0.12155780 
          0.50969642       0.00000000       0.01602562 
          0.69447571       0.00000000      -0.00828437 
          0.72478909       0.00000000       0.03501974 
          0.44218305       0.00000000       0.35408740 
          0.49308936       0.00000000       0.27416384 
  
  
         19.57186231       0.00000000     -15.55520416 
          0.00000000      48.68086329       0.00000000 
        -15.55520433       0.00000000      20.49975415 
  
  
      -122.75709319 
      -122.75709319 
      -122.75709319 
  
     65.04   65.60
 
 
  
       2.80    2.81
       2.85    2.86
   
        957.49186529 
     -13984.19287793 
      -5408.37831595 
        676.54812531 
      19399.49173571 
     -21766.13963387 
         -0.00000000 
      -1161.85999503 
      21163.04363286 
       -123.99546361 
       -123.99546361 
       -123.99546361 
   
  
  
       5.24    5.26
       5.28    5.31
   
       -123.40544781 
       -123.40544781 
       -123.40544781 
   
  
  
       6.06    6.09
       6.11    6.14
   
       -123.07945257 
       -123.07945257 
       -123.07945257 
   
  
  
       5.63    5.65
       5.67    5.70
   
       -123.03574278 
       -123.03574278 
       -123.03574278 
   
  
  
       5.87    5.89
       5.91    5.94
   
       -123.03021186 
       -123.03021186 
       -123.03021186 
   
  
  
       6.26    6.31
       6.30    6.38
   
       -123.02957576 
       -123.02957576 
       -123.02957576 
   
  
  
       3.73    3.79
       3.77    3.85
   
       -123.02966080 
       -123.02966080 
       -123.02966080 
   
  
  
       4.75    4.77
       4.80    4.82
   
       -123.02965471 
       -123.02965471 
       -123.02965471 
   
  
  
       4.04    4.06
       4.06    4.08
   
        957.49186529 
     -13984.19287793 
      -5518.79910134 
        682.48469183 
      19252.93841624 
     -21616.85329187 
         -0.00000000 
      -1059.14298867 
      21163.04363286 
       -123.02965358 
       -123.02965358 
       -123.02965358 
   
  
  
   
    
           12.42618102       0.00000000      -0.42034659 
            0.00000000       3.14832185       0.00000000 
           -1.58231723       0.00000000       5.85143703 
    
        226.82366257 
    
            0.08121819       0.00000000       0.02196263 
            0.00000000       0.31762953       0.00000000 
            0.00583443       0.00000000       0.17247591 
    
   
   
           0.14274089       0.50000000       0.24255392 
           0.35243670       0.00000000       0.67237411 
           0.10487731       0.00000000       0.77218377 
           0.40123048       0.50000000       0.17882590 
           0.64700193       0.00000000       0.33657801 
           0.83761350       0.50000000       0.70327942 
           0.59234698       0.50000000       0.81393808 
           0.87408804       0.00000000       0.21652273 
           0.48897603       0.00000000       0.24559137 
           0.01694041       0.50000000       0.79859280 
           0.17260644       0.00000000       0.54495372 
           0.33649994       0.50000000       0.43510771 
           0.34762383       0.50000000       0.85986657 
           0.21288647       0.00000000       0.05426185 
           0.96405802       0.50000000       0.28413632 
           0.51337135       0.00000000       0.75360439 
           0.66911333       0.50000000       0.57434544 
           0.82381860       0.00000000       0.47557808 
           0.82948723       0.00000000       0.90096361 
           0.67228251       0.50000000       0.13674221 
   
  
  
         -1.03449626       0.00000000       0.43532445 
         -0.69513344       0.00000000      -0.53273688 
         -0.56201315       0.00000000      -0.81771103 
         -0.53582479       0.00000000       0.55380058 
          0.79815805       0.00000000       0.17039571 
          0.37568960       0.00000000       0.25763212 
          0.82158702       0.00000000       0.19308852 
          0.90030771       0.00000000       0.32214231 
         -0.13809830       0.00000000      -0.07966472 
          0.25168714       0.00000000       0.07848202 
          0.40636468       0.00000000       0.13995529 
          0.92038994       0.00000000      -0.22723688 
          0.18492277       0.00000000       0.24491275 
         -0.02162417       0.00000000       0.10712345 
         -0.48613809       0.00000000      -0.37152091 
          0.32716463       0.00000000       0.01443684 
         -0.59944081       0.00000000       0.15182686 
         -0.59536425       0.00000000       0.30509874 
          0.00817943       0.00000000      -0.56981028 
         -0.32631769       0.00000000      -0.37553896 
  
  
        -28.11369206       0.00000000       2.19481485 
          0.00000000     -24.36365648       0.00000000 
          2.19481473       0.00000000     -26.39961372 
  
  
      -123.02965358 
      -123.02965358 
      -123.02965358 
  
     47.38   47.86
 
 
  
       2.74    2.76
       2.79    2.80
   
        967.38793077 
     -14050.58151080 
      -5519.89390288 
        685.09815667 
      19252.89935297 
     -21616.80161592 
         -0.00000000 
      -1004.43114366 
      21163.04363286 
       -123.27910000 
       -123.27910000 
       -123.27910000 
   
  
  
       5.01    5.03
       5.05    5.07
   
       -123.18426983 
       -123.18426983 
       -123.18426983 
   
  
  
       5.85    5.89
       5.89    5.94
   
       -123.14529625 
       -123.14529625 
       -123.14529625 
   
  
  
       5.98    6.01
       6.03    6.06
   
       -123.13953232 
       -123.13953232 
       -123.13953232 
   
  
  
       5.42    5.44
       5.46    5.49
   
       -123.13889393 
       -123.13889393 
       -123.13889393 
   
  
  
       5.87    5.89
       5.91    5.94
   
       -123.13889959 
       -123.13889959 
       -123.13889959