vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 10 
  23:57:40 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      318.61400000
        0.82000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            6.72000000       0.00000000       0.00000000 
            0.00000000       5.93204000       0.00000000 
            0.00000000       0.00000000       4.23931000 
    
        168.99292363 
    
            0.14880952       0.00000000       0.00000000 
            0.00000000       0.16857607       0.00000000 
            0.00000000       0.00000000       0.23588744 
    
   
   
           0.62666365       0.44413926       0.42938065 
           0.51059545       0.30122360       0.43982688 
           0.75961648       0.46700339       0.60460659 
           0.35201846       0.73727693       0.41871749 
           0.74924800       0.46616797       0.23615738 
   
  
  
           1 
           2 
           3 
           4 
           5 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       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       0.33333333       0.00000000 
          0.50000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       318.61400000
       535.51400000
         0.00001000
       38
       10
        9
       -1
       -1
         7.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          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
        318.61400000
    
      T  
      F  
           0.00000000
           0.00000028
           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
   
  
  
       30
       28
       20
       60
       56
       40
    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
         0.82000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        10.81100000      1.00000000
         0.00000000      0.00000000
         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
        20.27915084
         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  
  
 
 
         5 
         2 
  
   ion
   element
   atomtype
   
    B    1
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           6.72000000       0.00000000       0.00000000 
           0.00000000       5.93204000       0.00000000 
           0.00000000       0.00000000       4.23931000 
   
       168.99292363 
   
           0.14880952       0.00000000       0.00000000 
           0.00000000       0.16857607       0.00000000 
           0.00000000       0.00000000       0.23588744 
   
  
  
          0.62666365       0.44413926       0.42938065 
          0.51059545       0.30122360       0.43982688 
          0.75961648       0.46700339       0.60460659 
          0.35201846       0.73727693       0.41871749 
          0.74924800       0.46616797       0.23615738 
  
 
 
  
   
   
   
          1.35351575 
          2.44771038 
        -76.75150682 
         14.78318426 
         52.03597525 
        -51.21616644 
          0.00619653 
        -56.41454044 
        120.98661678 
          7.23098525 
          7.22478872 
          7.22891974 
   
  
  
   
   
   
        -16.33560810 
        -16.30234571 
        -16.32452064 
   
  
  
   
   
   
        -17.81252757 
        -17.77802750 
        -17.80102755 
   
  
  
   
   
   
        -17.82647147 
        -17.79207991 
        -17.81500761 
   
  
  
   
   
   
        -17.82647238 
        -17.79208084 
        -17.81500853 
   
  
  
   
   
   
        -15.49572433 
        -15.45861069 
        -15.48335311 
   
  
  
   
   
   
        -15.37113133 
        -15.35667894 
        -15.36631387 
   
  
  
   
   
   
        -15.09088122 
        -15.06209186 
        -15.08128477 
   
  
  
   
   
   
        -14.99813024 
        -14.94894169 
        -14.98173406 
   
  
  
   
   
   
        -15.00290171 
        -14.96340845 
        -14.98973729 
   
  
  
   
   
   
        -15.00175150 
        -14.95243297 
        -14.98531199 
   
  
  
   
   
   
        -15.00095806 
        -14.95406130 
        -14.98532581 
   
  
  
   
   
   
        -15.00137307 
        -14.95364789 
        -14.98546468 
   
  
  
   
   
   
        -15.00135053 
        -14.95468266 
        -14.98579457 
   
  
  
   
   
   
          1.35351575 
          2.44771038 
        -96.40730159 
         16.64999224 
        263.11092908 
       -262.42183281 
         -0.04682380 
        -60.67415831 
        120.98661678 
        -15.00135227 
        -14.95452848 
        -14.98574434 
   
  
  
   
    
            6.72000000       0.00000000       0.00000000 
            0.00000000       5.93204000       0.00000000 
            0.00000000       0.00000000       4.23931000 
    
        168.99292363 
    
            0.14880952       0.00000000       0.00000000 
            0.00000000       0.16857607       0.00000000 
            0.00000000       0.00000000       0.23588744 
    
   
   
           0.62666365       0.44413926       0.42938065 
           0.51059545       0.30122360       0.43982688 
           0.75961648       0.46700339       0.60460659 
           0.35201846       0.73727693       0.41871749 
           0.74924800       0.46616797       0.23615738 
   
  
  
          1.02969425      -0.62339933      -0.07980124 
         -1.37095277      -0.22366311       0.13179107 
         -0.00581774       0.55244132       2.09235872 
          0.54134561      -0.42354112      -0.01941388 
         -0.19426935       0.71816224      -2.12493467 
  
  
         -6.87136808      19.14196129       0.49305691 
         19.14196127     -10.22089365      -1.33521184 
          0.49305690      -1.33521183      20.97911125 
  
  
       -15.00135227 
       -14.95452848 
       -14.98574434 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -12.5166    1.0000 
          -8.6125    1.0000 
          -5.9902    0.9040 
          -5.9192    0.6740 
          -2.3516   -0.0000 
           0.3453    0.0000 
           1.6949    0.0000 
           3.0092    0.0000 
           3.3445    0.0000 
      
      
         -12.5127    1.0000 
          -8.6309    1.0000 
          -5.9949    0.9152 
          -5.9136    0.6520 
          -2.2746   -0.0000 
           0.3093    0.0000 
           1.4423    0.0000 
           3.1287    0.0000 
           3.3211    0.0000 
      
      
         -12.5099    1.0000 
          -8.6035    1.0000 
          -6.0604    1.0142 
          -5.9313    0.7207 
          -2.3018   -0.0000 
           0.4866    0.0000 
           1.4336    0.0000 
           2.9790    0.0000 
           3.2829    0.0000 
      
      
         -12.5064    1.0000 
          -8.6182    1.0000 
          -6.0587    1.0128 
          -5.9266    0.7030 
          -2.3288   -0.0000 
           0.8280    0.0000 
           1.3553    0.0000 
           2.3820    0.0000 
           3.3820    0.0000 
      
      
         -12.3577    1.0000 
          -8.5331    1.0000 
          -6.6235    1.0000 
          -5.8043    0.2136 
          -2.1457   -0.0000 
           0.9787    0.0000 
           2.0486    0.0000 
           2.6058    0.0000 
           3.1302    0.0000 
      
      
         -12.3561    1.0000 
          -8.5484    1.0000 
          -6.6197    1.0000 
          -5.8066    0.2214 
          -2.0985   -0.0000 
           0.8883    0.0000 
           1.6039    0.0000 
           2.8789    0.0000 
           3.5952    0.0000 
      
      
         -12.3530    1.0000 
          -8.5257    1.0000 
          -6.6167    1.0000 
          -5.8804    0.5142 
          -2.1068   -0.0000 
           1.1654    0.0000 
           1.9461    0.0000 
           2.4190    0.0000 
           3.2618    0.0000 
      
      
         -12.3531    1.0000 
          -8.5256    1.0000 
          -6.6171    1.0000 
          -5.8800    0.5127 
          -2.1053   -0.0000 
           1.1642    0.0000 
           1.9663    0.0000 
           2.3863    0.0000 
           3.2620    0.0000 
      
      
         -12.3503    1.0000 
          -8.5382    1.0000 
          -6.6128    1.0000 
          -5.8789    0.5078 
          -2.1209   -0.0000 
           1.2285    0.0000 
           1.8713    0.0000 
           2.4122    0.0000 
           3.2968    0.0000 
      
      
         -12.3504    1.0000 
          -8.5379    1.0000 
          -6.6132    1.0000 
          -5.8786    0.5069 
          -2.1204   -0.0000 
           1.2460    0.0000 
           1.8967    0.0000 
           2.3454    0.0000 
           3.2731    0.0000 
      
     
    
   
  
  
         0.00000000      0.00000000      0.00000000
  
  
        -5.87700737 
   
    
     gridpoints
     spin
     energy
     total
     integrated
     
      
          -14.5166     0.0000     0.0000 
          -14.4496     0.0000     0.0000 
          -14.3825     0.0000     0.0000 
          -14.3155     0.0000     0.0000 
          -14.2484     0.0000     0.0000 
          -14.1814    -0.0000    -0.0000 
          -14.1144    -0.0000    -0.0000 
          -14.0473    -0.0000    -0.0000 
          -13.9803    -0.0000    -0.0000 
          -13.9133    -0.0000    -0.0000 
          -13.8462    -0.0000    -0.0000 
          -13.7792    -0.0000    -0.0000 
          -13.7121    -0.0000    -0.0000 
          -13.6451    -0.0000    -0.0000 
          -13.5781    -0.0000    -0.0000 
          -13.5110    -0.0000    -0.0000 
          -13.4440    -0.0000    -0.0000 
          -13.3769    -0.0000    -0.0000 
          -13.3099    -0.0000    -0.0000 
          -13.2429    -0.0000    -0.0000 
          -13.1758    -0.0001    -0.0000 
          -13.1088    -0.0009    -0.0001 
          -13.0417    -0.0047    -0.0004 
          -12.9747    -0.0200    -0.0017 
          -12.9077    -0.0637    -0.0060 
          -12.8406    -0.1471    -0.0159 
          -12.7736    -0.2179    -0.0305 
          -12.7065    -0.0880    -0.0364 
          -12.6395     0.5365    -0.0004 
          -12.5725     1.8561     0.1240 
          -12.5054     3.7465     0.3752 
          -12.4384     5.6584     0.7545 
          -12.3713     6.7168     1.2048 
          -12.3043     6.1940     1.6201 
          -12.2373     4.2285     1.9035 
          -12.1702     1.9021     2.0311 
          -12.1032     0.3102     2.0519 
          -12.0361    -0.2821     2.0329 
          -11.9691    -0.2837     2.0139 
          -11.9021    -0.1431     2.0043 
          -11.8350    -0.0492     2.0010 
          -11.7680    -0.0124     2.0002 
          -11.7010    -0.0024     2.0000 
          -11.6339    -0.0004     2.0000 
          -11.5669    -0.0000     2.0000 
          -11.4998    -0.0000     2.0000 
          -11.4328    -0.0000     2.0000 
          -11.3658    -0.0000     2.0000 
          -11.2987    -0.0000     2.0000 
          -11.2317    -0.0000     2.0000 
          -11.1646    -0.0000     2.0000 
          -11.0976    -0.0000     2.0000 
          -11.0306     0.0000     2.0000 
          -10.9635     0.0000     2.0000 
          -10.8965     0.0000     2.0000 
          -10.8294     0.0000     2.0000 
          -10.7624     0.0000     2.0000 
          -10.6954     0.0000     2.0000 
          -10.6283     0.0000     2.0000 
          -10.5613     0.0000     2.0000 
          -10.4942     0.0000     2.0000 
          -10.4272     0.0000     2.0000 
          -10.3602     0.0000     2.0000 
          -10.2931    -0.0000     2.0000 
          -10.2261    -0.0000     2.0000 
          -10.1590    -0.0000     2.0000 
          -10.0920    -0.0000     2.0000 
          -10.0250    -0.0000     2.0000 
           -9.9579    -0.0000     2.0000 
           -9.8909    -0.0000     2.0000 
           -9.8238    -0.0000     2.0000 
           -9.7568    -0.0000     2.0000 
           -9.6898    -0.0000     2.0000 
           -9.6227    -0.0000     2.0000 
           -9.5557    -0.0000     2.0000 
           -9.4887    -0.0000     2.0000 
           -9.4216    -0.0000     2.0000 
           -9.3546    -0.0000     2.0000 
           -9.2875    -0.0001     2.0000 
           -9.2205    -0.0008     1.9999 
           -9.1535    -0.0049     1.9996 
           -9.0864    -0.0224     1.9981 
           -9.0194    -0.0785     1.9928 
           -8.9523    -0.2022     1.9793 
           -8.8853    -0.3458     1.9561 
           -8.8183    -0.2240     1.9411 
           -8.7512     0.7247     1.9897 
           -8.6842     2.8992     2.1840 
           -8.6171     5.7533     2.5697 
           -8.5501     7.6892     3.0852 
           -8.4831     7.3199     3.5759 
           -8.4160     4.8992     3.9044 
           -8.3490     2.0724     4.0433 
           -8.2819     0.2520     4.0602 
           -8.2149    -0.3578     4.0362 
           -8.1479    -0.3200     4.0148 
           -8.0808    -0.1536     4.0045 
           -8.0138    -0.0511     4.0010 
           -7.9467    -0.0126     4.0002 
           -7.8797    -0.0024     4.0000 
           -7.8127    -0.0003     4.0000 
           -7.7456    -0.0000     4.0000 
           -7.6786    -0.0000     4.0000 
           -7.6115    -0.0000     4.0000 
           -7.5445    -0.0000     4.0000 
           -7.4775    -0.0000     4.0000 
           -7.4104    -0.0000     4.0000 
           -7.3434    -0.0000     4.0000 
           -7.2764    -0.0003     4.0000 
           -7.2093    -0.0020     3.9998 
           -7.1423    -0.0106     3.9991 
           -7.0752    -0.0430     3.9962 
           -7.0082    -0.1276     3.9877 
           -6.9412    -0.2570     3.9705 
           -6.8741    -0.2537     3.9535 
           -6.8071     0.3176     3.9747 
           -6.7400     1.8454     4.0985 
           -6.6730     3.9769     4.3651 
           -6.6060     5.4381     4.7296 
           -6.5389     5.1039     5.0718 
           -6.4719     3.2225     5.2878 
           -6.4048     1.1174     5.3628 
           -6.3378    -0.1804     5.3507 
           -6.2708    -0.5318     5.3150 
           -6.2037    -0.1444     5.3053 
           -6.1367     0.9842     5.3713 
           -6.0696     2.9723     5.5706 
           -6.0026     5.5938     5.9456 
           -5.9356     7.9691     6.4798 
           -5.8685     8.8537     7.0734 
           -5.8015     7.5843     7.5818 
           -5.7344     4.8113     7.9044 
           -5.6674     2.0175     8.0396 
           -5.6004     0.2828     8.0586 
           -5.5333    -0.3209     8.0371 
           -5.4663    -0.3125     8.0161 
           -5.3992    -0.1617     8.0053 
           -5.3322    -0.0586     8.0013 
           -5.2652    -0.0159     8.0003 
           -5.1981    -0.0033     8.0000 
           -5.1311    -0.0006     8.0000 
           -5.0641    -0.0001     8.0000 
           -4.9970    -0.0000     8.0000 
           -4.9300    -0.0000     8.0000 
           -4.8629    -0.0000     8.0000 
           -4.7959    -0.0000     8.0000 
           -4.7289    -0.0000     8.0000 
           -4.6618    -0.0000     8.0000 
           -4.5948    -0.0000     8.0000 
           -4.5277    -0.0000     8.0000 
           -4.4607     0.0000     8.0000 
           -4.3937     0.0000     8.0000 
           -4.3266     0.0000     8.0000 
           -4.2596     0.0000     8.0000 
           -4.1925     0.0000     8.0000 
           -4.1255     0.0000     8.0000 
           -4.0585     0.0000     8.0000 
           -3.9914    -0.0000     8.0000 
           -3.9244    -0.0000     8.0000 
           -3.8573    -0.0000     8.0000 
           -3.7903    -0.0000     8.0000 
           -3.7233    -0.0000     8.0000 
           -3.6562    -0.0000     8.0000 
           -3.5892    -0.0000     8.0000 
           -3.5221    -0.0000     8.0000 
           -3.4551    -0.0000     8.0000 
           -3.3881    -0.0000     8.0000 
           -3.3210    -0.0000     8.0000 
           -3.2540    -0.0000     8.0000 
           -3.1869    -0.0000     8.0000 
           -3.1199    -0.0000     8.0000 
           -3.0529    -0.0000     8.0000 
           -2.9858    -0.0001     8.0000 
           -2.9188    -0.0009     7.9999 
           -2.8518    -0.0046     7.9996 
           -2.7847    -0.0189     7.9984 
           -2.7177    -0.0576     7.9945 
           -2.6506    -0.1245     7.9861 
           -2.5836    -0.1624     7.9753 
           -2.5166    -0.0068     7.9748 
           -2.4495     0.5401     8.0110 
           -2.3825     1.5238     8.1132 
           -2.3154     2.7975     8.3007 
           -2.2484     4.1952     8.5820 
           -2.1814     5.4854     8.9497 
           -2.1143     6.0849     9.3576 
           -2.0473     5.3500     9.7163 
           -1.9802     3.4343     9.9465 
           -1.9132     1.3765    10.0388 
           -1.8462     0.1023    10.0457 
           -1.7791    -0.2913    10.0261 
           -1.7121    -0.2366    10.0103 
           -1.6450    -0.1084    10.0030 
           -1.5780    -0.0347    10.0007 
           -1.5110    -0.0082    10.0001 
           -1.4439    -0.0015    10.0000 
           -1.3769    -0.0002    10.0000 
           -1.3098    -0.0000    10.0000 
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           -1.1087    -0.0000    10.0000 
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           -0.9076    -0.0000    10.0000 
           -0.8406    -0.0000    10.0000 
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           -0.6395    -0.0000    10.0000 
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           -0.3713    -0.0000    10.0000 
           -0.3043    -0.0001    10.0000 
           -0.2372    -0.0008     9.9999 
           -0.1702    -0.0035     9.9997 
           -0.1031    -0.0124     9.9989 
           -0.0361    -0.0320     9.9967 
            0.0309    -0.0545     9.9931 
            0.0980    -0.0369     9.9906 
            0.1650     0.1002     9.9973 
            0.2321     0.4112    10.0249 
            0.2991     0.8404    10.0812 
            0.3661     1.2234    10.1632 
            0.4332     1.3854    10.2561 
            0.5002     1.2392    10.3392 
            0.5673     0.8484    10.3961 
            0.6343     0.4664    10.4273 
            0.7013     0.4331    10.4564 
            0.7684     0.8966    10.5165 
            0.8354     1.6109    10.6245 
            0.9025     2.1150    10.7663 
            0.9695     2.2067    10.9142 
            1.0365     2.1938    11.0613 
            1.1036     2.5356    11.2312 
            1.1706     3.2405    11.4485 
            1.2377     3.8133    11.7041 
            1.3047     3.8402    11.9616 
            1.3717     3.3864    12.1886 
            1.4388     2.7630    12.3738 
            1.5058     2.1774    12.5198 
            1.5728     1.6931    12.6333 
            1.6399     1.3387    12.7230 
            1.7069     1.2220    12.8050 
            1.7740     1.5654    12.9099 
            1.8410     2.4527    13.0743 
            1.9080     3.4724    13.3071 
            1.9751     3.8696    13.5665 
            2.0421     3.2345    13.7834 
            2.1092     1.9655    13.9151 
            2.1762     1.0207    13.9836 
            2.2432     1.2105    14.0647 
            2.3103     2.5228    14.2338 
            2.3773     3.9944    14.5016 
            2.4444     4.4751    14.8016 
            2.5114     3.6799    15.0483 
            2.5784     2.3060    15.2029 
            2.6455     1.1679    15.2812 
            2.7125     0.5909    15.3208 
            2.7796     0.5599    15.3584 
            2.8466     0.9520    15.4222 
            2.9136     1.5179    15.5240 
            2.9807     1.9808    15.6567 
            3.0477     2.3512    15.8144 
            3.1148     3.0177    16.0167 
            3.1818     4.2878    16.3041 
            3.2488     5.7544    16.6899 
            3.3159     6.3763    17.1174 
            3.3829     5.4923    17.4856 
            3.4500     3.6145    17.7279 
            3.5170     1.9006    17.8553 
            3.5840     0.9869    17.9215 
            3.6511     0.6519    17.9652 
            3.7181     0.4386    17.9946 
            3.7851     0.1963    18.0077 
            3.8522     0.0136    18.0086 
            3.9192    -0.0528    18.0051 
            3.9863    -0.0450    18.0021 
            4.0533    -0.0216    18.0006 
            4.1203    -0.0072    18.0001 
            4.1874    -0.0018    18.0000 
            4.2544    -0.0003    18.0000 
            4.3215    -0.0000    18.0000 
            4.3885    -0.0000    18.0000 
            4.4555    -0.0000    18.0000 
            4.5226    -0.0000    18.0000 
            4.5896    -0.0000    18.0000 
            4.6567    -0.0000    18.0000 
            4.7237    -0.0000    18.0000 
            4.7907    -0.0000    18.0000 
            4.8578    -0.0000    18.0000 
            4.9248     0.0000    18.0000 
            4.9919     0.0000    18.0000 
            5.0589     0.0000    18.0000 
            5.1259     0.0000    18.0000 
            5.1930     0.0000    18.0000 
            5.2600     0.0000    18.0000 
            5.3271     0.0000    18.0000 
            5.3941     0.0000    18.0000 
            5.4611     0.0000    18.0000 
            5.5282     0.0000    18.0000 
            5.5952     0.0000    18.0000 
      
     
    
   
   
    
     gridpoints
     spin
     ion
     energy
       s  
       p  
       d  
     
      
       
           -14.5166     0.0000     0.0000     0.0000 
           -14.4496     0.0000     0.0000     0.0000 
           -14.3825     0.0000     0.0000     0.0000 
           -14.3155     0.0000     0.0000     0.0000 
           -14.2484     0.0000     0.0000     0.0000 
           -14.1814    -0.0000    -0.0000    -0.0000 
           -14.1144    -0.0000    -0.0000    -0.0000 
           -14.0473    -0.0000    -0.0000    -0.0000 
           -13.9803    -0.0000    -0.0000    -0.0000 
           -13.9133    -0.0000    -0.0000    -0.0000 
           -13.8462    -0.0000    -0.0000    -0.0000 
           -13.7792    -0.0000    -0.0000    -0.0000 
           -13.7121    -0.0000    -0.0000    -0.0000 
           -13.6451    -0.0000    -0.0000    -0.0000 
           -13.5781    -0.0000    -0.0000    -0.0000 
           -13.5110    -0.0000    -0.0000    -0.0000 
           -13.4440    -0.0000    -0.0000    -0.0000 
           -13.3769    -0.0000    -0.0000    -0.0000 
           -13.3099    -0.0000    -0.0000    -0.0000 
           -13.2429    -0.0000    -0.0000    -0.0000 
           -13.1758    -0.0000    -0.0000    -0.0000 
           -13.1088    -0.0002    -0.0000    -0.0000 
           -13.0417    -0.0010    -0.0001    -0.0000 
           -12.9747    -0.0044    -0.0003    -0.0000 
           -12.9077    -0.0139    -0.0008    -0.0001 
           -12.8406    -0.0322    -0.0019    -0.0002 
           -12.7736    -0.0480    -0.0029    -0.0003 
           -12.7065    -0.0207    -0.0012    -0.0001 
           -12.6395     0.1145     0.0070     0.0008 
           -12.5725     0.4036     0.0242     0.0028 
           -12.5054     0.8233     0.0491     0.0056 
           -12.4384     1.2543     0.0744     0.0086 
           -12.3713     1.4992     0.0886     0.0103 
           -12.3043     1.3894     0.0818     0.0096 
           -12.2373     0.9517     0.0559     0.0066 
           -12.1702     0.4294     0.0252     0.0030 
           -12.1032     0.0707     0.0041     0.0005 
           -12.0361    -0.0631    -0.0037    -0.0004 
           -11.9691    -0.0638    -0.0038    -0.0004 
           -11.9021    -0.0322    -0.0019    -0.0002 
           -11.8350    -0.0111    -0.0007    -0.0001 
           -11.7680    -0.0028    -0.0002    -0.0000 
           -11.7010    -0.0005    -0.0000    -0.0000 
           -11.6339    -0.0001    -0.0000    -0.0000 
           -11.5669    -0.0000    -0.0000    -0.0000 
           -11.4998    -0.0000    -0.0000    -0.0000 
           -11.4328    -0.0000    -0.0000    -0.0000 
           -11.3658    -0.0000    -0.0000    -0.0000 
           -11.2987    -0.0000    -0.0000    -0.0000 
           -11.2317    -0.0000    -0.0000    -0.0000 
           -11.1646    -0.0000    -0.0000    -0.0000 
           -11.0976    -0.0000    -0.0000    -0.0000 
           -11.0306     0.0000     0.0000     0.0000 
           -10.9635     0.0000     0.0000     0.0000 
           -10.8965     0.0000     0.0000     0.0000 
           -10.8294     0.0000     0.0000     0.0000 
           -10.7624     0.0000     0.0000     0.0000 
           -10.6954     0.0000     0.0000     0.0000 
           -10.6283     0.0000     0.0000     0.0000 
           -10.5613     0.0000     0.0000     0.0000 
           -10.4942     0.0000     0.0000     0.0000 
           -10.4272     0.0000     0.0000     0.0000 
           -10.3602     0.0000     0.0000     0.0000 
           -10.2931    -0.0000    -0.0000    -0.0000 
           -10.2261    -0.0000    -0.0000    -0.0000 
           -10.1590    -0.0000    -0.0000    -0.0000 
           -10.0920    -0.0000    -0.0000    -0.0000 
           -10.0250    -0.0000    -0.0000    -0.0000 
            -9.9579    -0.0000    -0.0000    -0.0000 
            -9.8909    -0.0000    -0.0000    -0.0000 
            -9.8238    -0.0000    -0.0000    -0.0000 
            -9.7568    -0.0000    -0.0000    -0.0000 
            -9.6898    -0.0000    -0.0000    -0.0000 
            -9.6227    -0.0000    -0.0000    -0.0000 
            -9.5557    -0.0000    -0.0000    -0.0000 
            -9.4887    -0.0000    -0.0000    -0.0000 
            -9.4216    -0.0000    -0.0000    -0.0000 
            -9.3546    -0.0000    -0.0000    -0.0000 
            -9.2875    -0.0000    -0.0000    -0.0000 
            -9.2205    -0.0000    -0.0002    -0.0000 
            -9.1535    -0.0000    -0.0009    -0.0000 
            -9.0864    -0.0002    -0.0043    -0.0001 
            -9.0194    -0.0007    -0.0150    -0.0002 
            -8.9523    -0.0018    -0.0388    -0.0005 
            -8.8853    -0.0030    -0.0666    -0.0009 
            -8.8183    -0.0018    -0.0441    -0.0006 
            -8.7512     0.0067     0.1370     0.0019 
            -8.6842     0.0256     0.5550     0.0076 
            -8.6171     0.0499     1.1066     0.0152 
            -8.5501     0.0658     1.4839     0.0204 
            -8.4831     0.0619     1.4166     0.0195 
            -8.4160     0.0410     0.9508     0.0130 
            -8.3490     0.0171     0.4036     0.0055 
            -8.2819     0.0019     0.0500     0.0007 
            -8.2149    -0.0031    -0.0691    -0.0009 
            -8.1479    -0.0027    -0.0621    -0.0009 
            -8.0808    -0.0013    -0.0299    -0.0004 
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            -7.9467    -0.0001    -0.0025    -0.0000 
            -7.8797    -0.0000    -0.0005    -0.0000 
            -7.8127    -0.0000    -0.0001    -0.0000 
            -7.7456    -0.0000    -0.0000    -0.0000 
            -7.6786    -0.0000    -0.0000    -0.0000 
            -7.6115    -0.0000    -0.0000    -0.0000 
            -7.5445    -0.0000    -0.0000    -0.0000 
            -7.4775    -0.0000    -0.0000    -0.0000 
            -7.4104    -0.0000    -0.0000    -0.0000 
            -7.3434    -0.0000    -0.0000    -0.0000 
            -7.2764    -0.0000    -0.0001    -0.0000 
            -7.2093    -0.0000    -0.0004    -0.0000 
            -7.1423    -0.0000    -0.0019    -0.0001 
            -7.0752    -0.0000    -0.0078    -0.0002 
            -7.0082    -0.0001    -0.0231    -0.0006 
            -6.9412    -0.0002    -0.0464    -0.0013 
            -6.8741    -0.0002    -0.0458    -0.0013 
            -6.8071     0.0002     0.0574     0.0016 
            -6.7400     0.0013     0.3334     0.0094 
            -6.6730     0.0029     0.7185     0.0202 
            -6.6060     0.0039     0.9828     0.0276 
            -6.5389     0.0037     0.9236     0.0259 
            -6.4719     0.0023     0.5872     0.0165 
            -6.4048     0.0009     0.2145     0.0061 
            -6.3378    -0.0000    -0.0111    -0.0002 
            -6.2708    -0.0002    -0.0792    -0.0022 
            -6.2037    -0.0001    -0.0540    -0.0016 
            -6.1367     0.0001     0.0433     0.0007 
            -6.0696     0.0005     0.2321     0.0054 
            -6.0026     0.0008     0.4887     0.0118 
            -5.9356     0.0011     0.6971     0.0169 
            -5.8685     0.0012     0.7222     0.0173 
            -5.8015     0.0011     0.5437     0.0125 
            -5.7344     0.0008     0.2820     0.0061 
            -5.6674     0.0004     0.0788     0.0014 
            -5.6004     0.0001    -0.0142    -0.0006 
            -5.5333    -0.0000    -0.0303    -0.0007 
            -5.4663    -0.0000    -0.0192    -0.0004 
            -5.3992    -0.0000    -0.0081    -0.0002 
            -5.3322    -0.0000    -0.0025    -0.0000 
            -5.2652    -0.0000    -0.0006    -0.0000 
            -5.1981    -0.0000    -0.0001    -0.0000 
            -5.1311    -0.0000    -0.0000    -0.0000 
            -5.0641    -0.0000    -0.0000    -0.0000 
            -4.9970    -0.0000    -0.0000    -0.0000 
            -4.9300    -0.0000    -0.0000    -0.0000 
            -4.8629    -0.0000    -0.0000    -0.0000 
            -4.7959    -0.0000    -0.0000    -0.0000 
            -4.7289    -0.0000    -0.0000    -0.0000 
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            -4.5948    -0.0000    -0.0000    -0.0000 
            -4.5277    -0.0000    -0.0000    -0.0000 
            -4.4607     0.0000     0.0000     0.0000 
            -4.3937     0.0000     0.0000     0.0000 
            -4.3266     0.0000     0.0000     0.0000 
            -4.2596     0.0000     0.0000     0.0000 
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            -4.1255     0.0000     0.0000     0.0000 
            -4.0585     0.0000     0.0000     0.0000 
            -3.9914    -0.0000    -0.0000    -0.0000 
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            -3.7903    -0.0000    -0.0000    -0.0000 
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            -3.4551    -0.0000    -0.0000    -0.0000 
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            -3.2540    -0.0000    -0.0000    -0.0000 
            -3.1869    -0.0000    -0.0000    -0.0000 
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            -3.0529    -0.0000    -0.0000    -0.0000 
            -2.9858    -0.0000    -0.0000    -0.0000 
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            -2.8518    -0.0001    -0.0009    -0.0000 
            -2.7847    -0.0004    -0.0038    -0.0000 
            -2.7177    -0.0013    -0.0115    -0.0000 
            -2.6506    -0.0027    -0.0250    -0.0000 
            -2.5836    -0.0035    -0.0331    -0.0000 
            -2.5166    -0.0002    -0.0039    -0.0000 
            -2.4495     0.0116     0.1025     0.0001 
            -2.3825     0.0330     0.2982     0.0002 
            -2.3154     0.0612     0.5618     0.0003 
            -2.2484     0.0930     0.8677     0.0005 
            -2.1814     0.1230     1.1648     0.0006 
            -2.1143     0.1374     1.3146     0.0006 
            -2.0473     0.1212     1.1667     0.0006 
            -1.9802     0.0778     0.7527     0.0004 
            -1.9132     0.0312     0.3031     0.0001 
            -1.8462     0.0023     0.0236     0.0000 
            -1.7791    -0.0066    -0.0632    -0.0000 
            -1.7121    -0.0053    -0.0516    -0.0000 
            -1.6450    -0.0025    -0.0237    -0.0000 
            -1.5780    -0.0008    -0.0076    -0.0000 
            -1.5110    -0.0002    -0.0018    -0.0000 
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            -1.3769    -0.0000    -0.0000    -0.0000 
            -1.3098    -0.0000    -0.0000    -0.0000 
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            -0.0361    -0.0006    -0.0006    -0.0000 
             0.0309    -0.0010    -0.0011    -0.0000 
             0.0980    -0.0008    -0.0008    -0.0000 
             0.1650     0.0015     0.0016     0.0000 
             0.2321     0.0069     0.0075     0.0001 
             0.2991     0.0149     0.0159     0.0002 
             0.3661     0.0229     0.0237     0.0003 
             0.4332     0.0274     0.0270     0.0003 
             0.5002     0.0261     0.0238     0.0003 
             0.5673     0.0193     0.0159     0.0001 
             0.6343     0.0108     0.0097     0.0001 
             0.7013     0.0055     0.0131     0.0002 
             0.7684     0.0058     0.0280     0.0006 
             0.8354     0.0096     0.0462     0.0013 
             0.9025     0.0132     0.0556     0.0018 
             0.9695     0.0149     0.0524     0.0019 
             1.0365     0.0158     0.0464     0.0020 
             1.1036     0.0176     0.0503     0.0027 
             1.1706     0.0208     0.0653     0.0039 
             1.2377     0.0254     0.0793     0.0049 
             1.3047     0.0309     0.0806     0.0048 
             1.3717     0.0357     0.0689     0.0038 
             1.4388     0.0366     0.0508     0.0028 
             1.5058     0.0323     0.0322     0.0023 
             1.5728     0.0249     0.0161     0.0023 
             1.6399     0.0175     0.0056     0.0023 
             1.7069     0.0136     0.0050     0.0022 
             1.7740     0.0170     0.0181     0.0023 
             1.8410     0.0283     0.0437     0.0033 
             1.9080     0.0401     0.0707     0.0050 
             1.9751     0.0424     0.0828     0.0063 
             2.0421     0.0318     0.0714     0.0063 
             2.1092     0.0160     0.0450     0.0047 
             2.1762     0.0061     0.0246     0.0032 
             2.2432     0.0082     0.0292     0.0042 
             2.3103     0.0196     0.0594     0.0084 
             2.3773     0.0306     0.0924     0.0135 
             2.4444     0.0320     0.1001     0.0154 
             2.5114     0.0229     0.0755     0.0128 
             2.5784     0.0105     0.0372     0.0078 
             2.6455     0.0018     0.0086     0.0035 
             2.7125    -0.0006    -0.0008     0.0015 
             2.7796     0.0023     0.0063     0.0015 
             2.8466     0.0087     0.0234     0.0025 
             2.9136     0.0157     0.0438     0.0036 
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