# serial: kkrjm_v2.2_mpi-rwth_20170912160859

*******************************************************************************
          Screened Korringa-Kohn-Rostoker Electronic Structure Code
                           for Bulk and Interfaces
          Juelich-Munich 2001 - 2016

 Code version: v2.2
 Compile options: mpi-rwth

-mkl

 serial number for files: kkrjm_v2.2_mpi-rwth_20170912160859
*******************************************************************************

 Number of MPI ranks used:  240

*******************************************************************************

         ABASIS         BBASIS         CBASIS
     1.00000000     1.00000000     1.00000000
--------------+--------------+--------------+----------------------------------
          ALAT =     20.15697305
*** SLAB - INTERFACE CALCULATION ***

 rinput13: <NLBASIS> not found in inputcard
 rinput13: <NRBASIS> not found in inputcard
 Number of embedded atoms NEMB=NLBASIS + NRBASIS=          20
Number of LEFT  Host Layers :    10 with    10 basis
Number of RIGHT Host Layers :    10 with    10 basis
Left  side periodicity :   -0.19219   0.11096  -1.00000
Right side periodicity :    0.19219  -0.11096   1.00000
    Geommetry used : 
 ATOM       TX          TY          TZ 
--------------- Left  Host -------------- 
  100   -1.34531250    0.77671653   -9.13300000    0
   99   -1.53750000    0.88767604   -9.26600000    0
   98   -1.72968750    0.99863554   -9.31650000    0
   97   -1.34531250    0.77671653   -9.43300000    0
   96   -1.53750000    0.88767604   -9.54950000    0
   95   -1.72968750    0.99863554   -9.63300000    0
   94   -1.34531250    0.77671653   -9.71650000    0
   93   -1.53750000    0.88767604   -9.83300000    0
   92   -1.72968750    0.99863554   -9.94950000    0
   91   -1.92187500    1.10959505  -10.00000000    0
   90   -1.15312500    0.66575703   -8.13300000    0
   89   -1.34531250    0.77671653   -8.26600000    0
   88   -1.53750000    0.88767604   -8.31650000    0
   87   -1.15312500    0.66575703   -8.43300000    0
   86   -1.34531250    0.77671653   -8.54950000    0
   85   -1.53750000    0.88767604   -8.63300000    0
   84   -1.15312500    0.66575703   -8.71650000    0
   83   -1.34531250    0.77671653   -8.83300000    0
   82   -1.53750000    0.88767604   -8.94950000    0
   81   -1.72968750    0.99863554   -9.00000000    0
   80   -0.96093750    0.55479752   -7.13300000    0
   79   -1.15312500    0.66575703   -7.26600000    0
   78   -1.34531250    0.77671653   -7.31650000    0
   77   -0.96093750    0.55479752   -7.43300000    0
   76   -1.15312500    0.66575703   -7.54950000    0
   75   -1.34531250    0.77671653   -7.63300000    0
   74   -0.96093750    0.55479752   -7.71650000    0
   73   -1.15312500    0.66575703   -7.83300000    0
   72   -1.34531250    0.77671653   -7.94950000    0
   71   -1.53750000    0.88767604   -8.00000000    0
   70   -0.76875000    0.44383802   -6.13300000    0
   69   -0.96093750    0.55479752   -6.26600000    0
   68   -1.15312500    0.66575703   -6.31650000    0
   67   -0.76875000    0.44383802   -6.43300000    0
   66   -0.96093750    0.55479752   -6.54950000    0
   65   -1.15312500    0.66575703   -6.63300000    0
   64   -0.76875000    0.44383802   -6.71650000    0
   63   -0.96093750    0.55479752   -6.83300000    0
   62   -1.15312500    0.66575703   -6.94950000    0
   61   -1.34531250    0.77671653   -7.00000000    0
   60   -0.57656250    0.33287851   -5.13300000    0
   59   -0.76875000    0.44383802   -5.26600000    0
   58   -0.96093750    0.55479752   -5.31650000    0
   57   -0.57656250    0.33287851   -5.43300000    0
   56   -0.76875000    0.44383802   -5.54950000    0
   55   -0.96093750    0.55479752   -5.63300000    0
   54   -0.57656250    0.33287851   -5.71650000    0
   53   -0.76875000    0.44383802   -5.83300000    0
   52   -0.96093750    0.55479752   -5.94950000    0
   51   -1.15312500    0.66575703   -6.00000000    0
   50   -0.38437500    0.22191901   -4.13300000    0
   49   -0.57656250    0.33287851   -4.26600000    0
   48   -0.76875000    0.44383802   -4.31650000    0
   47   -0.38437500    0.22191901   -4.43300000    0
   46   -0.57656250    0.33287851   -4.54950000    0
   45   -0.76875000    0.44383802   -4.63300000    0
   44   -0.38437500    0.22191901   -4.71650000    0
   43   -0.57656250    0.33287851   -4.83300000    0
   42   -0.76875000    0.44383802   -4.94950000    0
   41   -0.96093750    0.55479752   -5.00000000    0
   40   -0.19218750    0.11095950   -3.13300000    0
   39   -0.38437500    0.22191901   -3.26600000    0
   38   -0.57656250    0.33287851   -3.31650000    0
   37   -0.19218750    0.11095950   -3.43300000    0
   36   -0.38437500    0.22191901   -3.54950000    0
   35   -0.57656250    0.33287851   -3.63300000    0
   34   -0.19218750    0.11095950   -3.71650000    0
   33   -0.38437500    0.22191901   -3.83300000    0
   32   -0.57656250    0.33287851   -3.94950000    0
   31   -0.76875000    0.44383802   -4.00000000    0
   30    0.00000000    0.00000000   -2.13300000    0
   29   -0.19218750    0.11095950   -2.26600000    0
   28   -0.38437500    0.22191901   -2.31650000    0
   27    0.00000000    0.00000000   -2.43300000    0
   26   -0.19218750    0.11095950   -2.54950000    0
   25   -0.38437500    0.22191901   -2.63300000    0
   24    0.00000000    0.00000000   -2.71650000    0
   23   -0.19218750    0.11095950   -2.83300000    0
   22   -0.38437500    0.22191901   -2.94950000    0
   21   -0.57656250    0.33287851   -3.00000000    0
   20    0.19218750   -0.11095950   -1.13300000    0
   19    0.00000000    0.00000000   -1.26600000    0
   18   -0.19218750    0.11095950   -1.31650000    0
   17    0.19218750   -0.11095950   -1.43300000    0
   16    0.00000000    0.00000000   -1.54950000    0
   15   -0.19218750    0.11095950   -1.63300000    0
   14    0.19218750   -0.11095950   -1.71650000    0
   13    0.00000000    0.00000000   -1.83300000    0
   12   -0.19218750    0.11095950   -1.94950000    0
   11   -0.38437500    0.22191901   -2.00000000    0
   10    0.38437500   -0.22191901   -0.13300000    0
    9    0.19218750   -0.11095950   -0.26600000    0
    8    0.00000000    0.00000000   -0.31650000    0
    7    0.38437500   -0.22191901   -0.43300000    0
    6    0.19218750   -0.11095950   -0.54950000    0
    5    0.00000000    0.00000000   -0.63300000    0
    4    0.38437500   -0.22191901   -0.71650000    0
    3    0.19218750   -0.11095950   -0.83300000    0
    2    0.00000000    0.00000000   -0.94950000    0
    1   -0.19218750    0.11095950   -1.00000000    0
---------------   S L A B  -------------- 
    1    0.00000000    0.00000000    0.00000000
    2    0.19218750   -0.11095950    0.05050000
    3    0.38437500   -0.22191901    0.16700000
    4    0.57656250   -0.33287851    0.28350000
    5    0.19218750   -0.11095950    0.36700000
    6    0.38437500   -0.22191901    0.45050000
    7    0.57656250   -0.33287851    0.56700000
    8    0.19218750   -0.11095950    0.68350000
    9    0.38437500   -0.22191901    0.73400000
   10    0.57656250   -0.33287851    0.86700000
   11    0.19218750   -0.11095950    1.00000000
   12    0.38437500   -0.22191901    1.05050000
   13    0.57656250   -0.33287851    1.16700000
   14    0.76875000   -0.44383802    1.28350000
   15    0.38437500   -0.22191901    1.36700000
   16    0.57656250   -0.33287851    1.45050000
   17    0.76875000   -0.44383802    1.56700000
   18    0.38437500   -0.22191901    1.68350000
   19    0.57656250   -0.33287851    1.73400000
   20    0.76875000   -0.44383802    1.86700000
   21    0.38437500   -0.22191901    2.00000000
   22    0.57656250   -0.33287851    2.05050000
   23    0.76875000   -0.44383802    2.16700000
   24    0.96093750   -0.55479752    2.28350000
   25    0.57656250   -0.33287851    2.36700000
   26    0.76875000   -0.44383802    2.45050000
   27    0.96093750   -0.55479752    2.56700000
   28    0.57656250   -0.33287851    2.68350000
   29    0.76875000   -0.44383802    2.73400000
   30    0.96093750   -0.55479752    2.86700000
   31    0.57656250   -0.33287851    3.00000000
   32    0.76875000   -0.44383802    3.05050000
   33    0.96093750   -0.55479752    3.16700000
   34    1.15312500   -0.66575703    3.28350000
   35    0.76875000   -0.44383802    3.36700000
   36    0.96093750   -0.55479752    3.45050000
   37    1.15312500   -0.66575703    3.56700000
   38    0.76875000   -0.44383802    3.68350000
   39    0.96093750   -0.55479752    3.73400000
   40    1.15312500   -0.66575703    3.86700000
   41    0.76875000   -0.44383802    4.00000000
   42    0.96093750   -0.55479752    4.05050000
   43    1.15312500   -0.66575703    4.16700000
   44    1.34531250   -0.77671653    4.28350000
   45    0.96093750   -0.55479752    4.36700000
   46    1.15312500   -0.66575703    4.45050000
   47    1.34531250   -0.77671653    4.56700000
   48    0.96093750   -0.55479752    4.68350000
   49    1.15312500   -0.66575703    4.73400000
   50    1.34531250   -0.77671653    4.86700000
   51    0.96093750   -0.55479752    5.00000000
   52    1.15312500   -0.66575703    5.05050000
   53    1.34531250   -0.77671653    5.16700000
   54    1.53750000   -0.88767604    5.28350000
   55    1.15312500   -0.66575703    5.36700000
   56    1.34531250   -0.77671653    5.45050000
   57    1.53750000   -0.88767604    5.56700000
   58    1.15312500   -0.66575703    5.68350000
   59    1.34531250   -0.77671653    5.73400000
   60    1.53750000   -0.88767604    5.86700000
   61    1.15312500   -0.66575703    6.00000000
   62    1.34531250   -0.77671653    6.05050000
   63    1.53750000   -0.88767604    6.16700000
   64    1.72968750   -0.99863554    6.28350000
   65    1.34531250   -0.77671653    6.36700000
   66    1.53750000   -0.88767604    6.45050000
   67    1.72968750   -0.99863554    6.56700000
   68    1.34531250   -0.77671653    6.68350000
   69    1.53750000   -0.88767604    6.73400000
   70    1.72968750   -0.99863554    6.86700000
   71    1.34531250   -0.77671653    7.00000000
   72    1.53750000   -0.88767604    7.05050000
   73    1.72968750   -0.99863554    7.16700000
   74    1.92187500   -1.10959505    7.28350000
   75    1.53750000   -0.88767604    7.36700000
   76    1.72968750   -0.99863554    7.45050000
   77    1.92187500   -1.10959505    7.56700000
   78    1.53750000   -0.88767604    7.68350000
   79    1.72968750   -0.99863554    7.73400000
   80    1.92187500   -1.10959505    7.86700000
--------------- Right Host -------------- 
    1    1.53750000   -0.88767604    8.00000000    0
    2    1.72968750   -0.99863554    8.05050000    0
    3    1.92187500   -1.10959505    8.16700000    0
    4    2.11406250   -1.22055455    8.28350000    0
    5    1.72968750   -0.99863554    8.36700000    0
    6    1.92187500   -1.10959505    8.45050000    0
    7    2.11406250   -1.22055455    8.56700000    0
    8    1.72968750   -0.99863554    8.68350000    0
    9    1.92187500   -1.10959505    8.73400000    0
   10    2.11406250   -1.22055455    8.86700000    0
   11    1.72968750   -0.99863554    9.00000000    0
   12    1.92187500   -1.10959505    9.05050000    0
   13    2.11406250   -1.22055455    9.16700000    0
   14    2.30625000   -1.33151406    9.28350000    0
   15    1.92187500   -1.10959505    9.36700000    0
   16    2.11406250   -1.22055455    9.45050000    0
   17    2.30625000   -1.33151406    9.56700000    0
   18    1.92187500   -1.10959505    9.68350000    0
   19    2.11406250   -1.22055455    9.73400000    0
   20    2.30625000   -1.33151406    9.86700000    0
   21    1.92187500   -1.10959505   10.00000000    0
   22    2.11406250   -1.22055455   10.05050000    0
   23    2.30625000   -1.33151406   10.16700000    0
   24    2.49843750   -1.44247356   10.28350000    0
   25    2.11406250   -1.22055455   10.36700000    0
   26    2.30625000   -1.33151406   10.45050000    0
   27    2.49843750   -1.44247356   10.56700000    0
   28    2.11406250   -1.22055455   10.68350000    0
   29    2.30625000   -1.33151406   10.73400000    0
   30    2.49843750   -1.44247356   10.86700000    0
   31    2.11406250   -1.22055455   11.00000000    0
   32    2.30625000   -1.33151406   11.05050000    0
   33    2.49843750   -1.44247356   11.16700000    0
   34    2.69062500   -1.55343307   11.28350000    0
   35    2.30625000   -1.33151406   11.36700000    0
   36    2.49843750   -1.44247356   11.45050000    0
   37    2.69062500   -1.55343307   11.56700000    0
   38    2.30625000   -1.33151406   11.68350000    0
   39    2.49843750   -1.44247356   11.73400000    0
   40    2.69062500   -1.55343307   11.86700000    0
   41    2.30625000   -1.33151406   12.00000000    0
   42    2.49843750   -1.44247356   12.05050000    0
   43    2.69062500   -1.55343307   12.16700000    0
   44    2.88281250   -1.66439257   12.28350000    0
   45    2.49843750   -1.44247356   12.36700000    0
   46    2.69062500   -1.55343307   12.45050000    0
   47    2.88281250   -1.66439257   12.56700000    0
   48    2.49843750   -1.44247356   12.68350000    0
   49    2.69062500   -1.55343307   12.73400000    0
   50    2.88281250   -1.66439257   12.86700000    0
   51    2.49843750   -1.44247356   13.00000000    0
   52    2.69062500   -1.55343307   13.05050000    0
   53    2.88281250   -1.66439257   13.16700000    0
   54    3.07500000   -1.77535208   13.28350000    0
   55    2.69062500   -1.55343307   13.36700000    0
   56    2.88281250   -1.66439257   13.45050000    0
   57    3.07500000   -1.77535208   13.56700000    0
   58    2.69062500   -1.55343307   13.68350000    0
   59    2.88281250   -1.66439257   13.73400000    0
   60    3.07500000   -1.77535208   13.86700000    0
   61    2.69062500   -1.55343307   14.00000000    0
   62    2.88281250   -1.66439257   14.05050000    0
   63    3.07500000   -1.77535208   14.16700000    0
   64    3.26718750   -1.88631158   14.28350000    0
   65    2.88281250   -1.66439257   14.36700000    0
   66    3.07500000   -1.77535208   14.45050000    0
   67    3.26718750   -1.88631158   14.56700000    0
   68    2.88281250   -1.66439257   14.68350000    0
   69    3.07500000   -1.77535208   14.73400000    0
   70    3.26718750   -1.88631158   14.86700000    0
   71    2.88281250   -1.66439257   15.00000000    0
   72    3.07500000   -1.77535208   15.05050000    0
   73    3.26718750   -1.88631158   15.16700000    0
   74    3.45937500   -1.99727109   15.28350000    0
   75    3.07500000   -1.77535208   15.36700000    0
   76    3.26718750   -1.88631158   15.45050000    0
   77    3.45937500   -1.99727109   15.56700000    0
   78    3.07500000   -1.77535208   15.68350000    0
   79    3.26718750   -1.88631158   15.73400000    0
   80    3.45937500   -1.99727109   15.86700000    0
   81    3.07500000   -1.77535208   16.00000000    0
   82    3.26718750   -1.88631158   16.05050000    0
   83    3.45937500   -1.99727109   16.16700000    0
   84    3.65156250   -2.10823059   16.28350000    0
   85    3.26718750   -1.88631158   16.36700000    0
   86    3.45937500   -1.99727109   16.45050000    0
   87    3.65156250   -2.10823059   16.56700000    0
   88    3.26718750   -1.88631158   16.68350000    0
   89    3.45937500   -1.99727109   16.73400000    0
   90    3.65156250   -2.10823059   16.86700000    0
   91    3.26718750   -1.88631158   17.00000000    0
   92    3.45937500   -1.99727109   17.05050000    0
   93    3.65156250   -2.10823059   17.16700000    0
   94    3.84375000   -2.21919010   17.28350000    0
   95    3.45937500   -1.99727109   17.36700000    0
   96    3.65156250   -2.10823059   17.45050000    0
   97    3.84375000   -2.21919010   17.56700000    0
   98    3.45937500   -1.99727109   17.68350000    0
   99    3.65156250   -2.10823059   17.73400000    0
  100    3.84375000   -2.21919010   17.86700000    0
 NSPIN 
   2
---+---------------------------------------------------------------------------
 Cell information <SHAPE>:
 INIPOL
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
---+---+---+---+---+---+---+---+---+---+---------------------------------------
---+---------------------------------------------------------------------------
   INTERVX   INTERVY   INTERVZ
        40        40         1
---------+---------+---------+-------------------------------------------------
 Parameters used for the cluster calculation
 Clusters inside spheres with radius R =   0.650000000000000     
---+---------------------------------------------------------------------------
 RBASIS
SITE                BASIS VECTORS                 THETA   PHI CPA OCC KAOEZ
---+--------------+--------------+--------------+------------------------------
   1     0.00000000     0.00000000     0.00000000   0.0   0.0   0   1  1
   2     0.19218750    -0.11095950     0.05050000   0.0   0.0   0   1  2
   3     0.38437500    -0.22191901     0.16700000   0.0   0.0   0   1  3
   4     0.57656250    -0.33287851     0.28350000   0.0   0.0   0   1  4
   5     0.19218750    -0.11095950     0.36700000   0.0   0.0   0   1  5
   6     0.38437500    -0.22191901     0.45050000   0.0   0.0   0   1  6
   7     0.57656250    -0.33287851     0.56700000   0.0   0.0   0   1  7
   8     0.19218750    -0.11095950     0.68350000   0.0   0.0   0   1  8
   9     0.38437500    -0.22191901     0.73400000   0.0   0.0   0   1  9
  10     0.57656250    -0.33287851     0.86700000   0.0   0.0   0   1 10
  11     0.19218750    -0.11095950     1.00000000   0.0   0.0   0   1 11
  12     0.38437500    -0.22191901     1.05050000   0.0   0.0   0   1 12
  13     0.57656250    -0.33287851     1.16700000   0.0   0.0   0   1 13
  14     0.76875000    -0.44383802     1.28350000   0.0   0.0   0   1 14
  15     0.38437500    -0.22191901     1.36700000   0.0   0.0   0   1 15
  16     0.57656250    -0.33287851     1.45050000   0.0   0.0   0   1 16
  17     0.76875000    -0.44383802     1.56700000   0.0   0.0   0   1 17
  18     0.38437500    -0.22191901     1.68350000   0.0   0.0   0   1 18
  19     0.57656250    -0.33287851     1.73400000   0.0   0.0   0   1 19
  20     0.76875000    -0.44383802     1.86700000   0.0   0.0   0   1 20
  21     0.38437500    -0.22191901     2.00000000   0.0   0.0   0   1 21
  22     0.57656250    -0.33287851     2.05050000   0.0   0.0   0   1 22
  23     0.76875000    -0.44383802     2.16700000   0.0   0.0   0   1 23
  24     0.96093750    -0.55479752     2.28350000   0.0   0.0   0   1 24
  25     0.57656250    -0.33287851     2.36700000   0.0   0.0   0   1 25
  26     0.76875000    -0.44383802     2.45050000   0.0   0.0   0   1 26
  27     0.96093750    -0.55479752     2.56700000   0.0   0.0   0   1 27
  28     0.57656250    -0.33287851     2.68350000   0.0   0.0   0   1 28
  29     0.76875000    -0.44383802     2.73400000   0.0   0.0   0   1 29
  30     0.96093750    -0.55479752     2.86700000   0.0   0.0   0   1 30
  31     0.57656250    -0.33287851     3.00000000   0.0   0.0   0   1 31
  32     0.76875000    -0.44383802     3.05050000   0.0   0.0   0   1 32
  33     0.96093750    -0.55479752     3.16700000   0.0   0.0   0   1 33
  34     1.15312500    -0.66575703     3.28350000   0.0   0.0   0   1 34
  35     0.76875000    -0.44383802     3.36700000   0.0   0.0   0   1 35
  36     0.96093750    -0.55479752     3.45050000   0.0   0.0   0   1 36
  37     1.15312500    -0.66575703     3.56700000   0.0   0.0   0   1 37
  38     0.76875000    -0.44383802     3.68350000   0.0   0.0   0   1 38
  39     0.96093750    -0.55479752     3.73400000   0.0   0.0   0   1 39
  40     1.15312500    -0.66575703     3.86700000   0.0   0.0   0   1 40
  41     0.76875000    -0.44383802     4.00000000   0.0   0.0   0   1 41
  42     0.96093750    -0.55479752     4.05050000   0.0   0.0   0   1 42
  43     1.15312500    -0.66575703     4.16700000   0.0   0.0   0   1 43
  44     1.34531250    -0.77671653     4.28350000   0.0   0.0   0   1 44
  45     0.96093750    -0.55479752     4.36700000   0.0   0.0   0   1 45
  46     1.15312500    -0.66575703     4.45050000   0.0   0.0   0   1 46
  47     1.34531250    -0.77671653     4.56700000   0.0   0.0   0   1 47
  48     0.96093750    -0.55479752     4.68350000   0.0   0.0   0   1 48
  49     1.15312500    -0.66575703     4.73400000   0.0   0.0   0   1 49
  50     1.34531250    -0.77671653     4.86700000   0.0   0.0   0   1 50
  51     0.96093750    -0.55479752     5.00000000   0.0   0.0   0   1 51
  52     1.15312500    -0.66575703     5.05050000   0.0   0.0   0   1 52
  53     1.34531250    -0.77671653     5.16700000   0.0   0.0   0   1 53
  54     1.53750000    -0.88767604     5.28350000   0.0   0.0   0   1 54
  55     1.15312500    -0.66575703     5.36700000   0.0   0.0   0   1 55
  56     1.34531250    -0.77671653     5.45050000   0.0   0.0   0   1 56
  57     1.53750000    -0.88767604     5.56700000   0.0   0.0   0   1 57
  58     1.15312500    -0.66575703     5.68350000   0.0   0.0   0   1 58
  59     1.34531250    -0.77671653     5.73400000   0.0   0.0   0   1 59
  60     1.53750000    -0.88767604     5.86700000   0.0   0.0   0   1 60
  61     1.15312500    -0.66575703     6.00000000   0.0   0.0   0   1 61
  62     1.34531250    -0.77671653     6.05050000   0.0   0.0   0   1 62
  63     1.53750000    -0.88767604     6.16700000   0.0   0.0   0   1 63
  64     1.72968750    -0.99863554     6.28350000   0.0   0.0   0   1 64
  65     1.34531250    -0.77671653     6.36700000   0.0   0.0   0   1 65
  66     1.53750000    -0.88767604     6.45050000   0.0   0.0   0   1 66
  67     1.72968750    -0.99863554     6.56700000   0.0   0.0   0   1 67
  68     1.34531250    -0.77671653     6.68350000   0.0   0.0   0   1 68
  69     1.53750000    -0.88767604     6.73400000   0.0   0.0   0   1 69
  70     1.72968750    -0.99863554     6.86700000   0.0   0.0   0   1 70
  71     1.34531250    -0.77671653     7.00000000   0.0   0.0   0   1 71
  72     1.53750000    -0.88767604     7.05050000   0.0   0.0   0   1 72
  73     1.72968750    -0.99863554     7.16700000   0.0   0.0   0   1 73
  74     1.92187500    -1.10959505     7.28350000   0.0   0.0   0   1 74
  75     1.53750000    -0.88767604     7.36700000   0.0   0.0   0   1 75
  76     1.72968750    -0.99863554     7.45050000   0.0   0.0   0   1 76
  77     1.92187500    -1.10959505     7.56700000   0.0   0.0   0   1 77
  78     1.53750000    -0.88767604     7.68350000   0.0   0.0   0   1 78
  79     1.72968750    -0.99863554     7.73400000   0.0   0.0   0   1 79
  80     1.92187500    -1.10959505     7.86700000   0.0   0.0   0   1 80
 Applying Lloyds formula, LLY=           1
 ATOMINFOC or ATOMINFO:
 NATYP 
  80
   Z lmx     KFG cls pot ntc  MTFAC irns SITE  CONC
---+---------------------------------------------------------------------------
  0.   1    3300   1   1   1  1.0000 235    1  1.00000
  0.   1    3300   2   1   2  1.0000 248    2  1.00000
  0.   1    3300   3   2   3  1.0000 216    3  1.00000
  0.   1    3300   4   3   4  1.0000 205    4  1.00000
  0.   1    3300   5   3   5  1.0000 199    5  1.00000
  0.   1    3300   6   3   6  1.0000 205    6  1.00000
  0.   1    3300   7   2   7  1.0000 216    7  1.00000
  0.   1    3300   8   1   8  1.0000 248    8  1.00000
  0.   1    3300   9   1   9  1.0000 235    9  1.00000
  0.   1    3300  10   4  10  1.0000 199   10  1.00000
 52.   1    3300   1   1   1  1.0000 235   11  1.00000
  0.   1    3300   2   1   2  1.0000 248   12  1.00000
 51.   1    3300   3   2   3  1.0000 216   13  1.00000
  0.   1    3300   4   3   4  1.0000 205   14  1.00000
 52.   1    3300   5   3   5  1.0000 199   15  1.00000
  0.   1    3300   6   3   6  1.0000 205   16  1.00000
 51.   1    3300   7   2   7  1.0000 216   17  1.00000
  0.   1    3300   8   1   8  1.0000 248   18  1.00000
 52.   1    3300   9   1   9  1.0000 235   19  1.00000
  0.   1    3300  10   4  10  1.0000 199   20  1.00000
 52.   1    3300   1   1   1  1.0000 235   21  1.00000
  0.   1    3300   2   1   2  1.0000 248   22  1.00000
 51.   1    3300   3   2   3  1.0000 216   23  1.00000
  0.   1    3300   4   3   4  1.0000 205   24  1.00000
 52.   1    3300   5   3   5  1.0000 199   25  1.00000
  0.   1    3300   6   3   6  1.0000 205   26  1.00000
 51.   1    3300   7   2   7  1.0000 216   27  1.00000
  0.   1    3300   8   1   8  1.0000 248   28  1.00000
 52.   1    3300   9   1   9  1.0000 235   29  1.00000
  0.   1    3300  10   4  10  1.0000 199   30  1.00000
 52.   1    3300   1   1   1  1.0000 235   31  1.00000
  0.   1    3300   2   1   2  1.0000 248   32  1.00000
 51.   1    3300   3   2   3  1.0000 216   33  1.00000
  0.   1    3300   4   3   4  1.0000 205   34  1.00000
 52.   1    3300   5   3   5  1.0000 199   35  1.00000
  0.   1    3300   6   3   6  1.0000 205   36  1.00000
 51.   1    3300   7   2   7  1.0000 216   37  1.00000
  0.   1    3300   8   1   8  1.0000 248   38  1.00000
 52.   1    3300   9   1   9  1.0000 235   39  1.00000
  0.   1    3300  10   4  10  1.0000 199   40  1.00000
 52.   1    3300   1   1   1  1.0000 235   41  1.00000
  0.   1    3300   2   1   2  1.0000 248   42  1.00000
 51.   1    3300   3   2   3  1.0000 216   43  1.00000
  0.   1    3300   4   3   4  1.0000 205   44  1.00000
 52.   1    3300   5   3   5  1.0000 199   45  1.00000
  0.   1    3300   6   3   6  1.0000 205   46  1.00000
 51.   1    3300   7   2   7  1.0000 216   47  1.00000
  0.   1    3300   8   1   8  1.0000 248   48  1.00000
 52.   1    3300   9   1   9  1.0000 235   49  1.00000
  0.   1    3300  10   4  10  1.0000 199   50  1.00000
 52.   1    3300   1   1   1  1.0000 235   51  1.00000
  0.   1    3300   2   1   2  1.0000 248   52  1.00000
 51.   1    3300   3   2   3  1.0000 216   53  1.00000
  0.   1    3300   4   3   4  1.0000 205   54  1.00000
 52.   1    3300   5   3   5  1.0000 199   55  1.00000
  0.   1    3300   6   3   6  1.0000 205   56  1.00000
 51.   1    3300   7   2   7  1.0000 216   57  1.00000
  0.   1    3300   8   1   8  1.0000 248   58  1.00000
 52.   1    3300   9   1   9  1.0000 235   59  1.00000
  0.   1    3300  10   4  10  1.0000 199   60  1.00000
 52.   1    3300   1   1   1  1.0000 235   61  1.00000
  0.   1    3300   2   1   2  1.0000 248   62  1.00000
 51.   1    3300   3   2   3  1.0000 216   63  1.00000
  0.   1    3300   4   3   4  1.0000 205   64  1.00000
 52.   1    3300   5   3   5  1.0000 199   65  1.00000
  0.   1    3300   6   3   6  1.0000 205   66  1.00000
 51.   1    3300   7   2   7  1.0000 216   67  1.00000
  0.   1    3300   8   1   8  1.0000 248   68  1.00000
 52.   1    3300   9   1   9  1.0000 235   69  1.00000
  0.   1    3300  10   4  10  1.0000 199   70  1.00000
  0.   1    3300   1   1   1  1.0000 235   71  1.00000
  0.   1    3300   2   1   2  1.0000 248   72  1.00000
  0.   1    3300   3   2   3  1.0000 216   73  1.00000
  0.   1    3300   4   3   4  1.0000 205   74  1.00000
  0.   1    3300   5   3   5  1.0000 199   75  1.00000
  0.   1    3300   6   3   6  1.0000 205   76  1.00000
  0.   1    3300   7   2   7  1.0000 216   77  1.00000
  0.   1    3300   8   1   8  1.0000 248   78  1.00000
  0.   1    3300   9   1   9  1.0000 235   79  1.00000
  0.   1    3300  10   4  10  1.0000 199   80  1.00000
---+---+-------+---+---+---+-------+---+---------------------------------------
---+---------------------------------------------------------------------------
 NSTEPS
 500
---+---------------------------------------------------------------------------
 I12="4Ryshift                                "
 I13="potential                               "
 I40="madelung                                "
 I19="shapefun                                "
 I25="scoef                                   "
 lmax
   3
---+---------------------------------------------------------------------------
          EMIN        EMAX        TK
   -1.200000    1.200000  473.000000
-----------+-----------+-----------+-------------------------------------------
   NPOL  NPNT1  NPNT2  NPNT3
      7      7     40      6
------+------+------+------+---------------------------------------------------
------+------+------+----------------------------------------------------------
  IFILE    IPE ISHIFT ESHIFT
     13      1      0    0.000000
------+------+------+-----------+----------------------------------------------
 KSHAPE    IRM    INS   ICST INSREF
      2    900      1      2      0
------+------+------+------+------+--------------------------------------------
   KCOR  KVREL    KWS   KHYP KHFIELD   KXC
      2      1      2      0      0      2
------+------+------+------+------+------+-------------------------------------
    KTE   KPRE   KEFG  KVMAD 
      1      1      0      0
------+------+------+------+------+--------------------------------------------
   IMIX    IGF    ICC
      5      0      0
------+------+------+------+---------------------------------------------------
 ITDBRY
     30
------+------------------------------------------------------------------------
      STRMIX        FCM       QBOUND
    0.020000   20.000000    0.000000
-----------+-----------+-----------+-------------------------------------------
      BRYMIX
    0.020000
-----------+-------------------------------------------------------------------
 external magnetic hfield     :         0.0000
 VCONST                       :       0.000000
 mixing factor used           :       0.020000
 convergence quality required :       1.00D-07
 make use of CPA algorithm    :             NO

                                 check of dimension-data consistency
                                 -----------------------------------
                                        lmax   : (     3,     3)
                                        natyp  : (    80,    80)
                                        irm    : (   900,   900)
                                        nspin  : (     2,     2)



                    full potential calculation - cut off of non spherical potential
 >

                               representive atom no.  1 irns :  235 irnsd :  890
                               representive atom no.  2 irns :  248 irnsd :  890
                               representive atom no.  3 irns :  216 irnsd :  890
                               representive atom no.  4 irns :  205 irnsd :  890
                               representive atom no.  5 irns :  199 irnsd :  890
                               representive atom no.  6 irns :  205 irnsd :  890
                               representive atom no.  7 irns :  216 irnsd :  890
                               representive atom no.  8 irns :  248 irnsd :  890
                               representive atom no.  9 irns :  235 irnsd :  890
                               representive atom no. 10 irns :  199 irnsd :  890
                               representive atom no. 11 irns :  235 irnsd :  890
                               representive atom no. 12 irns :  248 irnsd :  890
                               representive atom no. 13 irns :  216 irnsd :  890
                               representive atom no. 14 irns :  205 irnsd :  890
                               representive atom no. 15 irns :  199 irnsd :  890
                               representive atom no. 16 irns :  205 irnsd :  890
                               representive atom no. 17 irns :  216 irnsd :  890
                               representive atom no. 18 irns :  248 irnsd :  890
                               representive atom no. 19 irns :  235 irnsd :  890
                               representive atom no. 20 irns :  199 irnsd :  890
                               representive atom no. 21 irns :  235 irnsd :  890
                               representive atom no. 22 irns :  248 irnsd :  890
                               representive atom no. 23 irns :  216 irnsd :  890
                               representive atom no. 24 irns :  205 irnsd :  890
                               representive atom no. 25 irns :  199 irnsd :  890
                               representive atom no. 26 irns :  205 irnsd :  890
                               representive atom no. 27 irns :  216 irnsd :  890
                               representive atom no. 28 irns :  248 irnsd :  890
                               representive atom no. 29 irns :  235 irnsd :  890
                               representive atom no. 30 irns :  199 irnsd :  890
                               representive atom no. 31 irns :  235 irnsd :  890
                               representive atom no. 32 irns :  248 irnsd :  890
                               representive atom no. 33 irns :  216 irnsd :  890
                               representive atom no. 34 irns :  205 irnsd :  890
                               representive atom no. 35 irns :  199 irnsd :  890
                               representive atom no. 36 irns :  205 irnsd :  890
                               representive atom no. 37 irns :  216 irnsd :  890
                               representive atom no. 38 irns :  248 irnsd :  890
                               representive atom no. 39 irns :  235 irnsd :  890
                               representive atom no. 40 irns :  199 irnsd :  890
                               representive atom no. 41 irns :  235 irnsd :  890
                               representive atom no. 42 irns :  248 irnsd :  890
                               representive atom no. 43 irns :  216 irnsd :  890
                               representive atom no. 44 irns :  205 irnsd :  890
                               representive atom no. 45 irns :  199 irnsd :  890
                               representive atom no. 46 irns :  205 irnsd :  890
                               representive atom no. 47 irns :  216 irnsd :  890
                               representive atom no. 48 irns :  248 irnsd :  890
                               representive atom no. 49 irns :  235 irnsd :  890
                               representive atom no. 50 irns :  199 irnsd :  890
                               representive atom no. 51 irns :  235 irnsd :  890
                               representive atom no. 52 irns :  248 irnsd :  890
                               representive atom no. 53 irns :  216 irnsd :  890
                               representive atom no. 54 irns :  205 irnsd :  890
                               representive atom no. 55 irns :  199 irnsd :  890
                               representive atom no. 56 irns :  205 irnsd :  890
                               representive atom no. 57 irns :  216 irnsd :  890
                               representive atom no. 58 irns :  248 irnsd :  890
                               representive atom no. 59 irns :  235 irnsd :  890
                               representive atom no. 60 irns :  199 irnsd :  890
                               representive atom no. 61 irns :  235 irnsd :  890
                               representive atom no. 62 irns :  248 irnsd :  890
                               representive atom no. 63 irns :  216 irnsd :  890
                               representive atom no. 64 irns :  205 irnsd :  890
                               representive atom no. 65 irns :  199 irnsd :  890
                               representive atom no. 66 irns :  205 irnsd :  890
                               representive atom no. 67 irns :  216 irnsd :  890
                               representive atom no. 68 irns :  248 irnsd :  890
                               representive atom no. 69 irns :  235 irnsd :  890
                               representive atom no. 70 irns :  199 irnsd :  890
                               representive atom no. 71 irns :  235 irnsd :  890
                               representive atom no. 72 irns :  248 irnsd :  890
                               representive atom no. 73 irns :  216 irnsd :  890
                               representive atom no. 74 irns :  205 irnsd :  890
                               representive atom no. 75 irns :  199 irnsd :  890
                               representive atom no. 76 irns :  205 irnsd :  890
                               representive atom no. 77 irns :  216 irnsd :  890
                               representive atom no. 78 irns :  248 irnsd :  890
                               representive atom no. 79 irns :  235 irnsd :  890
                               representive atom no. 80 irns :  199 irnsd :  890


                        spin polarized calculation
                      s.r.a. calculation                        
                      core relaxation nonsra                    
                      exact cell treatment (shape correction)   
                      Vosko,Wilk,Nusair      exchange-correlation potential
                      non spherical input potential for cluster 
                      using  2-th. born approximation 
 *******************************************************************************
 IXIPOL
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0
---+---+---+---+---+---+---+---+---+---+---------------------------------------
    NAEZ    NEMB  
      80      20
-------+-------+-------+-------------------------------------------------------
    NCLS    NREF   NINEQ
      10       4      80
-------+-------+-------+-------------------------------------------------------
---+---+---+---+---+---+---+---+---+---+---------------------------------------
 
    -0.19218750     0.11095950    -1.00000000    81     1
     0.00000000     0.00000000    -0.94950000    82     1
     0.19218750    -0.11095950    -0.83300000    83     2
     0.38437500    -0.22191901    -0.71650000    84     3
     0.00000000     0.00000000    -0.63300000    85     3
     0.19218750    -0.11095950    -0.54950000    86     3
     0.38437500    -0.22191901    -0.43300000    87     2
     0.00000000     0.00000000    -0.31650000    88     1
     0.19218750    -0.11095950    -0.26600000    89     1
     0.38437500    -0.22191901    -0.13300000    90     4
     1.53750000    -0.88767604     8.00000000    91     1
     1.72968750    -0.99863554     8.05050000    92     1
     1.92187500    -1.10959505     8.16700000    93     2
     2.11406250    -1.22055455     8.28350000    94     3
     1.72968750    -0.99863554     8.36700000    95     3
     1.92187500    -1.10959505     8.45050000    96     3
     2.11406250    -1.22055455     8.56700000    97     2
     1.72968750    -0.99863554     8.68350000    98     1
     1.92187500    -1.10959505     8.73400000    99     1
     2.11406250    -1.22055455     8.86700000   100     4
-------+-------+-------+-------+-------+-------+-------+-----------------------
-------------------------------------------------------------------------------
 EXECUTION OPTIONS:
 xigid-ef//LLOYD   //ewald2d //NEWSOSOL//DOS     //        //...     //...     
-------------------------------------------------------------------------------
-------------------------------------------------------------------------------
 TEST OPTIONS:
 ie      //RMESH   //clusters//        //        //        //        //        
 MPIenerg//fullBZ  //DOS     //        //        //        //        //        

-------------------------------------------------------------------------------
 < MEMWFSAVE >, use default:           0
 < UNITMEMWFSAVE >, use default:           2 
 (MB) (max memory= MEMWFSAVE*1024**UNITMEMWFSAVE)
-------------------------------------------------------------------------------
 KMROT
       0
-------+-------+-------+-------------------------------------------------------
  >>>>>>>>> RINPUT13 EXITS NOW <<<<<<<<<< 
===============================================================================
                       LATTIX99: surface geometry mode
===============================================================================
 
     Lattice constants :  ALAT = 20.15697305     2*PI/ALAT =  0.31171274

     Direct lattice cell vectors :

         normalised (ALAT)                     a.u.
         ----------------------                ----------------------
     a_1:  0.384375  0.000000                    7.747836  0.000000
     a_2:  0.192187 -0.332879                    3.873918 -6.709823
         ----------------------                ----------------------
 
     Unit cell volume :  V =    0.12795017 (ALAT**2) =    51.98661152 (a.u.**2)

     Reciprocal lattice cell vectors :

         normalised (2*PI/ALAT)                1/a.u.
         ----------------------                ----------------------
     b_1:  2.601626  1.502049                    0.810960  0.468208
     b_2:  0.000000 -3.004099                    0.000000 -0.936416
         ----------------------                ----------------------
 
     < RRGEN > : generation of real space mesh RR(NR)

          Radius R        :        8.043598 (ALAT    units)
                 R**2     :       64.699474 (ALAT**2 units)
          mesh divisions  :         12   12
          vectors created :             625
 
===============================================================================
                       SCALEVEC: scale site coordinates
                                 bring all to CARTESIAN system
===============================================================================
 
     Site coordinates will not be scaled
 CARTESIAN coordinates
                                          ---> No transformation required
              ---------------------------------------------
                    Positions of ALL generated sites 
                  in CARTESIAN coordinates (ALAT units)
              ---------------------------------------------
               IQ       x           y           z       IT
               **************** Left  Host ***************
               100   -1.345312    0.776717   -9.133000 10
                99   -1.537500    0.887676   -9.266000  9
                98   -1.729688    0.998636   -9.316500  8
                97   -1.345312    0.776717   -9.433000  7
                96   -1.537500    0.887676   -9.549500  6
                95   -1.729688    0.998636   -9.633000  5
                94   -1.345312    0.776717   -9.716500  4
                93   -1.537500    0.887676   -9.833000  3
                92   -1.729688    0.998636   -9.949500  2
                91   -1.921875    1.109595  -10.000000  1
                90   -1.153125    0.665757   -8.133000 10
                89   -1.345313    0.776717   -8.266000  9
                88   -1.537500    0.887676   -8.316500  8
                87   -1.153125    0.665757   -8.433000  7
                86   -1.345313    0.776717   -8.549500  6
                85   -1.537500    0.887676   -8.633000  5
                84   -1.153125    0.665757   -8.716500  4
                83   -1.345313    0.776717   -8.833000  3
                82   -1.537500    0.887676   -8.949500  2
                81   -1.729688    0.998636   -9.000000  1
                80   -0.960938    0.554798   -7.133000 10
                79   -1.153125    0.665757   -7.266000  9
                78   -1.345313    0.776717   -7.316500  8
                77   -0.960938    0.554798   -7.433000  7
                76   -1.153125    0.665757   -7.549500  6
                75   -1.345313    0.776717   -7.633000  5
                74   -0.960938    0.554798   -7.716500  4
                73   -1.153125    0.665757   -7.833000  3
                72   -1.345313    0.776717   -7.949500  2
                71   -1.537500    0.887676   -8.000000  1
                70   -0.768750    0.443838   -6.133000 10
                69   -0.960938    0.554798   -6.266000  9
                68   -1.153125    0.665757   -6.316500  8
                67   -0.768750    0.443838   -6.433000  7
                66   -0.960938    0.554798   -6.549500  6
                65   -1.153125    0.665757   -6.633000  5
                64   -0.768750    0.443838   -6.716500  4
                63   -0.960938    0.554798   -6.833000  3
                62   -1.153125    0.665757   -6.949500  2
                61   -1.345313    0.776717   -7.000000  1
                60   -0.576562    0.332879   -5.133000 10
                59   -0.768750    0.443838   -5.266000  9
                58   -0.960938    0.554798   -5.316500  8
                57   -0.576562    0.332879   -5.433000  7
                56   -0.768750    0.443838   -5.549500  6
                55   -0.960937    0.554798   -5.633000  5
                54   -0.576562    0.332879   -5.716500  4
                53   -0.768750    0.443838   -5.833000  3
                52   -0.960937    0.554798   -5.949500  2
                51   -1.153125    0.665757   -6.000000  1
                50   -0.384375    0.221919   -4.133000 10
                49   -0.576563    0.332879   -4.266000  9
                48   -0.768750    0.443838   -4.316500  8
                47   -0.384375    0.221919   -4.433000  7
                46   -0.576563    0.332879   -4.549500  6
                45   -0.768750    0.443838   -4.633000  5
                44   -0.384375    0.221919   -4.716500  4
                43   -0.576563    0.332879   -4.833000  3
                42   -0.768750    0.443838   -4.949500  2
                41   -0.960938    0.554798   -5.000000  1
                40   -0.192188    0.110960   -3.133000 10
                39   -0.384375    0.221919   -3.266000  9
                38   -0.576563    0.332879   -3.316500  8
                37   -0.192188    0.110960   -3.433000  7
                36   -0.384375    0.221919   -3.549500  6
                35   -0.576562    0.332879   -3.633000  5
                34   -0.192188    0.110960   -3.716500  4
                33   -0.384375    0.221919   -3.833000  3
                32   -0.576562    0.332879   -3.949500  2
                31   -0.768750    0.443838   -4.000000  1
                30    0.000000    0.000000   -2.133000 10
                29   -0.192188    0.110960   -2.266000  9
                28   -0.384375    0.221919   -2.316500  8
                27    0.000000    0.000000   -2.433000  7
                26   -0.192188    0.110960   -2.549500  6
                25   -0.384375    0.221919   -2.633000  5
                24    0.000000    0.000000   -2.716500  4
                23   -0.192188    0.110960   -2.833000  3
                22   -0.384375    0.221919   -2.949500  2
                21   -0.576563    0.332879   -3.000000  1
                20    0.192188   -0.110960   -1.133000 10
                19    0.000000    0.000000   -1.266000  9
                18   -0.192187    0.110960   -1.316500  8
                17    0.192188   -0.110960   -1.433000  7
                16    0.000000    0.000000   -1.549500  6
                15   -0.192187    0.110960   -1.633000  5
                14    0.192188   -0.110960   -1.716500  4
                13    0.000000    0.000000   -1.833000  3
                12   -0.192187    0.110960   -1.949500  2
                11   -0.384375    0.221919   -2.000000  1
                10    0.384375   -0.221919   -0.133000 10
                 9    0.192188   -0.110960   -0.266000  9
                 8    0.000000    0.000000   -0.316500  8
                 7    0.384375   -0.221919   -0.433000  7
                 6    0.192188   -0.110960   -0.549500  6
                 5    0.000000    0.000000   -0.633000  5
                 4    0.384375   -0.221919   -0.716500  4
                 3    0.192188   -0.110960   -0.833000  3
                 2    0.000000    0.000000   -0.949500  2
                 1   -0.192188    0.110960   -1.000000  1
               ****************   S L A B  ***************
                 1    0.000000    0.000000    0.000000  1
                 2    0.192188   -0.110960    0.050500  2
                 3    0.384375   -0.221919    0.167000  3
                 4    0.576562   -0.332879    0.283500  4
                 5    0.192188   -0.110960    0.367000  5
                 6    0.384375   -0.221919    0.450500  6
                 7    0.576562   -0.332879    0.567000  7
                 8    0.192188   -0.110960    0.683500  8
                 9    0.384375   -0.221919    0.734000  9
                10    0.576562   -0.332879    0.867000 10
                11    0.192188   -0.110960    1.000000 11
                12    0.384375   -0.221919    1.050500 12
                13    0.576562   -0.332879    1.167000 13
                14    0.768750   -0.443838    1.283500 14
                15    0.384375   -0.221919    1.367000 15
                16    0.576562   -0.332879    1.450500 16
                17    0.768750   -0.443838    1.567000 17
                18    0.384375   -0.221919    1.683500 18
                19    0.576562   -0.332879    1.734000 19
                20    0.768750   -0.443838    1.867000 20
                21    0.384375   -0.221919    2.000000 21
                22    0.576562   -0.332879    2.050500 22
                23    0.768750   -0.443838    2.167000 23
                24    0.960938   -0.554798    2.283500 24
                25    0.576562   -0.332879    2.367000 25
                26    0.768750   -0.443838    2.450500 26
                27    0.960938   -0.554798    2.567000 27
                28    0.576562   -0.332879    2.683500 28
                29    0.768750   -0.443838    2.734000 29
                30    0.960938   -0.554798    2.867000 30
                31    0.576562   -0.332879    3.000000 31
                32    0.768750   -0.443838    3.050500 32
                33    0.960938   -0.554798    3.167000 33
                34    1.153125   -0.665757    3.283500 34
                35    0.768750   -0.443838    3.367000 35
                36    0.960938   -0.554798    3.450500 36
                37    1.153125   -0.665757    3.567000 37
                38    0.768750   -0.443838    3.683500 38
                39    0.960938   -0.554798    3.734000 39
                40    1.153125   -0.665757    3.867000 40
                41    0.768750   -0.443838    4.000000 41
                42    0.960938   -0.554798    4.050500 42
                43    1.153125   -0.665757    4.167000 43
                44    1.345312   -0.776717    4.283500 44
                45    0.960938   -0.554798    4.367000 45
                46    1.153125   -0.665757    4.450500 46
                47    1.345312   -0.776717    4.567000 47
                48    0.960938   -0.554798    4.683500 48
                49    1.153125   -0.665757    4.734000 49
                50    1.345312   -0.776717    4.867000 50
                51    0.960938   -0.554798    5.000000 51
                52    1.153125   -0.665757    5.050500 52
                53    1.345312   -0.776717    5.167000 53
                54    1.537500   -0.887676    5.283500 54
                55    1.153125   -0.665757    5.367000 55
                56    1.345312   -0.776717    5.450500 56
                57    1.537500   -0.887676    5.567000 57
                58    1.153125   -0.665757    5.683500 58
                59    1.345312   -0.776717    5.734000 59
                60    1.537500   -0.887676    5.867000 60
                61    1.153125   -0.665757    6.000000 61
                62    1.345312   -0.776717    6.050500 62
                63    1.537500   -0.887676    6.167000 63
                64    1.729688   -0.998636    6.283500 64
                65    1.345312   -0.776717    6.367000 65
                66    1.537500   -0.887676    6.450500 66
                67    1.729688   -0.998636    6.567000 67
                68    1.345312   -0.776717    6.683500 68
                69    1.537500   -0.887676    6.734000 69
                70    1.729688   -0.998636    6.867000 70
                71    1.345312   -0.776717    7.000000 71
                72    1.537500   -0.887676    7.050500 72
                73    1.729688   -0.998636    7.167000 73
                74    1.921875   -1.109595    7.283500 74
                75    1.537500   -0.887676    7.367000 75
                76    1.729688   -0.998636    7.450500 76
                77    1.921875   -1.109595    7.567000 77
                78    1.537500   -0.887676    7.683500 78
                79    1.729688   -0.998636    7.734000 79
                80    1.921875   -1.109595    7.867000 80
               **************** Right Host ***************
                 1    1.537500   -0.887676    8.000000  1
                 2    1.729688   -0.998636    8.050500  2
                 3    1.921875   -1.109595    8.167000  3
                 4    2.114063   -1.220555    8.283500  4
                 5    1.729688   -0.998636    8.367000  5
                 6    1.921875   -1.109595    8.450500  6
                 7    2.114063   -1.220555    8.567000  7
                 8    1.729688   -0.998636    8.683500  8
                 9    1.921875   -1.109595    8.734000  9
                10    2.114063   -1.220555    8.867000 10
                11    1.729688   -0.998636    9.000000  1
                12    1.921875   -1.109595    9.050500  2
                13    2.114063   -1.220555    9.167000  3
                14    2.306250   -1.331514    9.283500  4
                15    1.921875   -1.109595    9.367000  5
                16    2.114063   -1.220555    9.450500  6
                17    2.306250   -1.331514    9.567000  7
                18    1.921875   -1.109595    9.683500  8
                19    2.114063   -1.220555    9.734000  9
                20    2.306250   -1.331514    9.867000 10
                21    1.921875   -1.109595   10.000000  1
                22    2.114063   -1.220555   10.050500  2
                23    2.306250   -1.331514   10.167000  3
                24    2.498438   -1.442474   10.283500  4
                25    2.114063   -1.220555   10.367000  5
                26    2.306250   -1.331514   10.450500  6
                27    2.498438   -1.442474   10.567000  7
                28    2.114063   -1.220555   10.683500  8
                29    2.306250   -1.331514   10.734000  9
                30    2.498438   -1.442474   10.867000 10
                31    2.114063   -1.220555   11.000000  1
                32    2.306250   -1.331514   11.050500  2
                33    2.498438   -1.442474   11.167000  3
                34    2.690625   -1.553433   11.283500  4
                35    2.306250   -1.331514   11.367000  5
                36    2.498438   -1.442474   11.450500  6
                37    2.690625   -1.553433   11.567000  7
                38    2.306250   -1.331514   11.683500  8
                39    2.498438   -1.442474   11.734000  9
                40    2.690625   -1.553433   11.867000 10
                41    2.306250   -1.331514   12.000000  1
                42    2.498438   -1.442474   12.050500  2
                43    2.690625   -1.553433   12.167000  3
                44    2.882812   -1.664393   12.283500  4
                45    2.498438   -1.442474   12.367000  5
                46    2.690625   -1.553433   12.450500  6
                47    2.882812   -1.664393   12.567000  7
                48    2.498438   -1.442474   12.683500  8
                49    2.690625   -1.553433   12.734000  9
                50    2.882812   -1.664393   12.867000 10
                51    2.498438   -1.442474   13.000000  1
                52    2.690625   -1.553433   13.050500  2
                53    2.882812   -1.664393   13.167000  3
                54    3.075000   -1.775352   13.283500  4
                55    2.690625   -1.553433   13.367000  5
                56    2.882812   -1.664393   13.450500  6
                57    3.075000   -1.775352   13.567000  7
                58    2.690625   -1.553433   13.683500  8
                59    2.882812   -1.664393   13.734000  9
                60    3.075000   -1.775352   13.867000 10
                61    2.690625   -1.553433   14.000000  1
                62    2.882812   -1.664393   14.050500  2
                63    3.075000   -1.775352   14.167000  3
                64    3.267188   -1.886312   14.283500  4
                65    2.882812   -1.664393   14.367000  5
                66    3.075000   -1.775352   14.450500  6
                67    3.267188   -1.886312   14.567000  7
                68    2.882812   -1.664393   14.683500  8
                69    3.075000   -1.775352   14.734000  9
                70    3.267188   -1.886312   14.867000 10
                71    2.882812   -1.664393   15.000000  1
                72    3.075000   -1.775352   15.050500  2
                73    3.267188   -1.886312   15.167000  3
                74    3.459375   -1.997271   15.283500  4
                75    3.075000   -1.775352   15.367000  5
                76    3.267188   -1.886312   15.450500  6
                77    3.459375   -1.997271   15.567000  7
                78    3.075000   -1.775352   15.683500  8
                79    3.267188   -1.886312   15.734000  9
                80    3.459375   -1.997271   15.867000 10
                81    3.075000   -1.775352   16.000000  1
                82    3.267188   -1.886312   16.050500  2
                83    3.459375   -1.997271   16.167000  3
                84    3.651563   -2.108231   16.283500  4
                85    3.267188   -1.886312   16.367000  5
                86    3.459375   -1.997271   16.450500  6
                87    3.651563   -2.108231   16.567000  7
                88    3.267188   -1.886312   16.683500  8
                89    3.459375   -1.997271   16.734000  9
                90    3.651563   -2.108231   16.867000 10
                91    3.267188   -1.886312   17.000000  1
                92    3.459375   -1.997271   17.050500  2
                93    3.651562   -2.108231   17.167000  3
                94    3.843750   -2.219190   17.283500  4
                95    3.459375   -1.997271   17.367000  5
                96    3.651562   -2.108231   17.450500  6
                97    3.843750   -2.219190   17.567000  7
                98    3.459375   -1.997271   17.683500  8
                99    3.651562   -2.108231   17.734000  9
               100    3.843750   -2.219190   17.867000 10
              ---------------------------------------------

 >>> CLSGEN_TB: generation of cluster coordinates
 RCUT =   0.650000000000000       RCUTXY =   0.650000000000000     
 Spherical Clusters are created
 clsgen_tb: cluster size of site:           1 :          92
 clsgen_tb: Touching RMT of site:           1 :  0.113796191754436     
 clsgen_tb: cluster size of site:           2 :          89
 clsgen_tb: Touching RMT of site:           2 :  0.113796191754437     
 clsgen_tb: cluster size of site:           3 :          89
 clsgen_tb: Touching RMT of site:           3 :  0.125319883728850     
 clsgen_tb: cluster size of site:           4 :          92
 clsgen_tb: Touching RMT of site:           4 :  0.118554089101969     
 clsgen_tb: cluster size of site:           5 :          89
 clsgen_tb: Touching RMT of site:           5 :  0.118554089101969     
 clsgen_tb: cluster size of site:           6 :          92
 clsgen_tb: Touching RMT of site:           6 :  0.118554094226275     
 clsgen_tb: cluster size of site:           7 :          89
 clsgen_tb: Touching RMT of site:           7 :  0.125319878881196     
 clsgen_tb: cluster size of site:           8 :          89
 clsgen_tb: Touching RMT of site:           8 :  0.113796191754436     
 clsgen_tb: cluster size of site:           9 :          92
 clsgen_tb: Touching RMT of site:           9 :  0.113796191754437     
 clsgen_tb: cluster size of site:          10 :          89
 clsgen_tb: Touching RMT of site:          10 :  0.129360966070904     
 clsgen_tb: cluster size of site:          11 :          92
 clsgen_tb: Touching RMT of site:          11 :  0.113796191754436     
 clsgen_tb: cluster size of site:          12 :          89
 clsgen_tb: Touching RMT of site:          12 :  0.113796191754437     
 clsgen_tb: cluster size of site:          13 :          89
 clsgen_tb: Touching RMT of site:          13 :  0.125319883728850     
 clsgen_tb: cluster size of site:          14 :          92
 clsgen_tb: Touching RMT of site:          14 :  0.118554089101969     
 clsgen_tb: cluster size of site:          15 :          89
 clsgen_tb: Touching RMT of site:          15 :  0.118554089101969     
 clsgen_tb: cluster size of site:          16 :          92
 clsgen_tb: Touching RMT of site:          16 :  0.118554094226275     
 clsgen_tb: cluster size of site:          17 :          89
 clsgen_tb: Touching RMT of site:          17 :  0.125319878881196     
 clsgen_tb: cluster size of site:          18 :          89
 clsgen_tb: Touching RMT of site:          18 :  0.113796191754436     
 clsgen_tb: cluster size of site:          19 :          92
 clsgen_tb: Touching RMT of site:          19 :  0.113796191754437     
 clsgen_tb: cluster size of site:          20 :          89
 clsgen_tb: Touching RMT of site:          20 :  0.129360966070904     
 clsgen_tb: cluster size of site:          21 :          92
 clsgen_tb: Touching RMT of site:          21 :  0.113796191754436     
 clsgen_tb: cluster size of site:          22 :          89
 clsgen_tb: Touching RMT of site:          22 :  0.113796191754437     
 clsgen_tb: cluster size of site:          23 :          89
 clsgen_tb: Touching RMT of site:          23 :  0.125319883728850     
 clsgen_tb: cluster size of site:          24 :          92
 clsgen_tb: Touching RMT of site:          24 :  0.118554089101969     
 clsgen_tb: cluster size of site:          25 :          89
 clsgen_tb: Touching RMT of site:          25 :  0.118554089101969     
 clsgen_tb: cluster size of site:          26 :          92
 clsgen_tb: Touching RMT of site:          26 :  0.118554094226276     
 clsgen_tb: cluster size of site:          27 :          89
 clsgen_tb: Touching RMT of site:          27 :  0.125319878881196     
 clsgen_tb: cluster size of site:          28 :          89
 clsgen_tb: Touching RMT of site:          28 :  0.113796191754437     
 clsgen_tb: cluster size of site:          29 :          92
 clsgen_tb: Touching RMT of site:          29 :  0.113796191754437     
 clsgen_tb: cluster size of site:          30 :          89
 clsgen_tb: Touching RMT of site:          30 :  0.129360966070904     
 clsgen_tb: cluster size of site:          31 :          92
 clsgen_tb: Touching RMT of site:          31 :  0.113796191754437     
 clsgen_tb: cluster size of site:          32 :          89
 clsgen_tb: Touching RMT of site:          32 :  0.113796191754437     
 clsgen_tb: cluster size of site:          33 :          89
 clsgen_tb: Touching RMT of site:          33 :  0.125319883728850     
 clsgen_tb: cluster size of site:          34 :          92
 clsgen_tb: Touching RMT of site:          34 :  0.118554089101969     
 clsgen_tb: cluster size of site:          35 :          89
 clsgen_tb: Touching RMT of site:          35 :  0.118554089101969     
 clsgen_tb: cluster size of site:          36 :          92
 clsgen_tb: Touching RMT of site:          36 :  0.118554094226275     
 clsgen_tb: cluster size of site:          37 :          89
 clsgen_tb: Touching RMT of site:          37 :  0.125319878881196     
 clsgen_tb: cluster size of site:          38 :          89
 clsgen_tb: Touching RMT of site:          38 :  0.113796191754436     
 clsgen_tb: cluster size of site:          39 :          92
 clsgen_tb: Touching RMT of site:          39 :  0.113796191754437     
 clsgen_tb: cluster size of site:          40 :          89
 clsgen_tb: Touching RMT of site:          40 :  0.129360966070904     
 clsgen_tb: cluster size of site:          41 :          92
 clsgen_tb: Touching RMT of site:          41 :  0.113796191754436     
 clsgen_tb: cluster size of site:          42 :          89
 clsgen_tb: Touching RMT of site:          42 :  0.113796191754437     
 clsgen_tb: cluster size of site:          43 :          89
 clsgen_tb: Touching RMT of site:          43 :  0.125319883728850     
 clsgen_tb: cluster size of site:          44 :          92
 clsgen_tb: Touching RMT of site:          44 :  0.118554089101969     
 clsgen_tb: cluster size of site:          45 :          89
 clsgen_tb: Touching RMT of site:          45 :  0.118554089101969     
 clsgen_tb: cluster size of site:          46 :          92
 clsgen_tb: Touching RMT of site:          46 :  0.118554094226275     
 clsgen_tb: cluster size of site:          47 :          89
 clsgen_tb: Touching RMT of site:          47 :  0.125319878881196     
 clsgen_tb: cluster size of site:          48 :          89
 clsgen_tb: Touching RMT of site:          48 :  0.113796191754436     
 clsgen_tb: cluster size of site:          49 :          92
 clsgen_tb: Touching RMT of site:          49 :  0.113796191754437     
 clsgen_tb: cluster size of site:          50 :          89
 clsgen_tb: Touching RMT of site:          50 :  0.129360966070904     
 clsgen_tb: cluster size of site:          51 :          92
 clsgen_tb: Touching RMT of site:          51 :  0.113796191754437     
 clsgen_tb: cluster size of site:          52 :          89
 clsgen_tb: Touching RMT of site:          52 :  0.113796191754437     
 clsgen_tb: cluster size of site:          53 :          89
 clsgen_tb: Touching RMT of site:          53 :  0.125319883728850     
 clsgen_tb: cluster size of site:          54 :          92
 clsgen_tb: Touching RMT of site:          54 :  0.118554089101969     
 clsgen_tb: cluster size of site:          55 :          89
 clsgen_tb: Touching RMT of site:          55 :  0.118554089101969     
 clsgen_tb: cluster size of site:          56 :          92
 clsgen_tb: Touching RMT of site:          56 :  0.118554094226275     
 clsgen_tb: cluster size of site:          57 :          89
 clsgen_tb: Touching RMT of site:          57 :  0.125319878881196     
 clsgen_tb: cluster size of site:          58 :          89
 clsgen_tb: Touching RMT of site:          58 :  0.113796191754436     
 clsgen_tb: cluster size of site:          59 :          92
 clsgen_tb: Touching RMT of site:          59 :  0.113796191754437     
 clsgen_tb: cluster size of site:          60 :          89
 clsgen_tb: Touching RMT of site:          60 :  0.129360966070904     
 clsgen_tb: cluster size of site:          61 :          92
 clsgen_tb: Touching RMT of site:          61 :  0.113796191754436     
 clsgen_tb: cluster size of site:          62 :          89
 clsgen_tb: Touching RMT of site:          62 :  0.113796191754437     
 clsgen_tb: cluster size of site:          63 :          89
 clsgen_tb: Touching RMT of site:          63 :  0.125319883728850     
 clsgen_tb: cluster size of site:          64 :          92
 clsgen_tb: Touching RMT of site:          64 :  0.118554089101969     
 clsgen_tb: cluster size of site:          65 :          89
 clsgen_tb: Touching RMT of site:          65 :  0.118554089101969     
 clsgen_tb: cluster size of site:          66 :          92
 clsgen_tb: Touching RMT of site:          66 :  0.118554094226275     
 clsgen_tb: cluster size of site:          67 :          89
 clsgen_tb: Touching RMT of site:          67 :  0.125319878881196     
 clsgen_tb: cluster size of site:          68 :          89
 clsgen_tb: Touching RMT of site:          68 :  0.113796191754436     
 clsgen_tb: cluster size of site:          69 :          92
 clsgen_tb: Touching RMT of site:          69 :  0.113796191754437     
 clsgen_tb: cluster size of site:          70 :          89
 clsgen_tb: Touching RMT of site:          70 :  0.129360966070904     
 clsgen_tb: cluster size of site:          71 :          92
 clsgen_tb: Touching RMT of site:          71 :  0.113796191754436     
 clsgen_tb: cluster size of site:          72 :          89
 clsgen_tb: Touching RMT of site:          72 :  0.113796191754437     
 clsgen_tb: cluster size of site:          73 :          89
 clsgen_tb: Touching RMT of site:          73 :  0.125319883728850     
 clsgen_tb: cluster size of site:          74 :          92
 clsgen_tb: Touching RMT of site:          74 :  0.118554089101969     
 clsgen_tb: cluster size of site:          75 :          89
 clsgen_tb: Touching RMT of site:          75 :  0.118554089101969     
 clsgen_tb: cluster size of site:          76 :          92
 clsgen_tb: Touching RMT of site:          76 :  0.118554094226275     
 clsgen_tb: cluster size of site:          77 :          89
 clsgen_tb: Touching RMT of site:          77 :  0.125319878881196     
 clsgen_tb: cluster size of site:          78 :          89
 clsgen_tb: Touching RMT of site:          78 :  0.113796191754436     
 clsgen_tb: cluster size of site:          79 :          92
 clsgen_tb: Touching RMT of site:          79 :  0.113796191754437     
 clsgen_tb: cluster size of site:          80 :          89
 clsgen_tb: Touching RMT of site:          80 :  0.129360966070904     
 clsgen_tb: cluster size of site:          81 :          92
 clsgen_tb: Touching RMT of site:          81 :  0.113796191754436     
 clsgen_tb: cluster size of site:          82 :          89
 clsgen_tb: Touching RMT of site:          82 :  0.113796191754437     
 clsgen_tb: cluster size of site:          83 :          89
 clsgen_tb: Touching RMT of site:          83 :  0.125319883728850     
 clsgen_tb: cluster size of site:          84 :          92
 clsgen_tb: Touching RMT of site:          84 :  0.118554089101969     
 clsgen_tb: cluster size of site:          85 :          89
 clsgen_tb: Touching RMT of site:          85 :  0.118554089101969     
 clsgen_tb: cluster size of site:          86 :          92
 clsgen_tb: Touching RMT of site:          86 :  0.118554094226275     
 clsgen_tb: cluster size of site:          87 :          89
 clsgen_tb: Touching RMT of site:          87 :  0.125319878881196     
 clsgen_tb: cluster size of site:          88 :          89
 clsgen_tb: Touching RMT of site:          88 :  0.113796191754436     
 clsgen_tb: cluster size of site:          89 :          92
 clsgen_tb: Touching RMT of site:          89 :  0.113796191754437     
 clsgen_tb: cluster size of site:          90 :          89
 clsgen_tb: Touching RMT of site:          90 :  0.129360966070904     
 clsgen_tb: cluster size of site:          91 :          92
 clsgen_tb: Touching RMT of site:          91 :  0.113796191754436     
 clsgen_tb: cluster size of site:          92 :          89
 clsgen_tb: Touching RMT of site:          92 :  0.113796191754437     
 clsgen_tb: cluster size of site:          93 :          89
 clsgen_tb: Touching RMT of site:          93 :  0.125319883728850     
 clsgen_tb: cluster size of site:          94 :          92
 clsgen_tb: Touching RMT of site:          94 :  0.118554089101970     
 clsgen_tb: cluster size of site:          95 :          89
 clsgen_tb: Touching RMT of site:          95 :  0.118554089101970     
 clsgen_tb: cluster size of site:          96 :          92
 clsgen_tb: Touching RMT of site:          96 :  0.118554094226275     
 clsgen_tb: cluster size of site:          97 :          89
 clsgen_tb: Touching RMT of site:          97 :  0.125319878881196     
 clsgen_tb: cluster size of site:          98 :          89
 clsgen_tb: Touching RMT of site:          98 :  0.113796191754436     
 clsgen_tb: cluster size of site:          99 :          92
 clsgen_tb: Touching RMT of site:          99 :  0.113796191754437     
 clsgen_tb: cluster size of site:         100 :          89
 clsgen_tb: Touching RMT of site:         100 :  0.129360966070904     
 Clusters from clsgen_tb:
CLSGEN_TB: Atom    1 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom    2 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom    3 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom    4 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom    5 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom    6 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom    7 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom    8 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom    9 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   10 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   11 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   12 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   13 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   14 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   15 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   16 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   17 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   18 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   19 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   20 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   21 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   22 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   23 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   24 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   25 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   26 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   27 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   28 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   29 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   30 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   31 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   32 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   33 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   34 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   35 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   36 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   37 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   38 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   39 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   40 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   41 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   42 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   43 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   44 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   45 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   46 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   47 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   48 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   49 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   50 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   51 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   52 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   53 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   54 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   55 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   56 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   57 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   58 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   59 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   60 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   61 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   62 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   63 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   64 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   65 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   66 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   67 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   68 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   69 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   70 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
CLSGEN_TB: Atom   71 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   72 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   73 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   74 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   75 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   76 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   77 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   78 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   79 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   80 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
 Clusters from clsgen_tb in outer region, left:
CLSGEN_TB: Atom   81 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   82 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   83 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   84 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   85 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   86 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   87 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   88 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   89 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom   90 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
 Clusters from clsgen_tb in outer region, right:
CLSGEN_TB: Atom   91 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    1 Sites   92
CLSGEN_TB: Atom   92 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    2 Sites   89
CLSGEN_TB: Atom   93 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    3 Sites   89
CLSGEN_TB: Atom   94 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    4 Sites   92
CLSGEN_TB: Atom   95 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    5 Sites   89
CLSGEN_TB: Atom   96 Refpot    3 Rmtref 2.3562000 Vref 8.0000000 TB-cluster    6 Sites   92
CLSGEN_TB: Atom   97 Refpot    2 Rmtref 2.4948000 Vref 8.0000000 TB-cluster    7 Sites   89
CLSGEN_TB: Atom   98 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    8 Sites   89
CLSGEN_TB: Atom   99 Refpot    1 Rmtref 2.2671000 Vref 8.0000000 TB-cluster    9 Sites   92
CLSGEN_TB: Atom  100 Refpot    4 Rmtref 2.5740000 Vref 8.0000000 TB-cluster   10 Sites   89
 Coupling matrix:
   1 11111110000000000000000000000000000000000000000000000000000000000000000000000000
   2 11111111000000000000000000000000000000000000000000000000000000000000000000000000
   3 11111111100000000000000000000000000000000000000000000000000000000000000000000000
   4 11111111110000000000000000000000000000000000000000000000000000000000000000000000
   5 11111111111000000000000000000000000000000000000000000000000000000000000000000000
   6 11111111111100000000000000000000000000000000000000000000000000000000000000000000
   7 11111111111110000000000000000000000000000000000000000000000000000000000000000000
   8 01111111111111000000000000000000000000000000000000000000000000000000000000000000
   9 00111111111111100000000000000000000000000000000000000000000000000000000000000000
  10 00011111111111110000000000000000000000000000000000000000000000000000000000000000
  11 00001111111111111000000000000000000000000000000000000000000000000000000000000000
  12 00000111111111111100000000000000000000000000000000000000000000000000000000000000
  13 00000011111111111110000000000000000000000000000000000000000000000000000000000000
  14 00000001111111111111000000000000000000000000000000000000000000000000000000000000
  15 00000000111111111111100000000000000000000000000000000000000000000000000000000000
  16 00000000011111111111110000000000000000000000000000000000000000000000000000000000
  17 00000000001111111111111000000000000000000000000000000000000000000000000000000000
  18 00000000000111111111111100000000000000000000000000000000000000000000000000000000
  19 00000000000011111111111110000000000000000000000000000000000000000000000000000000
  20 00000000000001111111111111000000000000000000000000000000000000000000000000000000
  21 00000000000000111111111111100000000000000000000000000000000000000000000000000000
  22 00000000000000011111111111110000000000000000000000000000000000000000000000000000
  23 00000000000000001111111111111000000000000000000000000000000000000000000000000000
  24 00000000000000000111111111111100000000000000000000000000000000000000000000000000
  25 00000000000000000011111111111110000000000000000000000000000000000000000000000000
  26 00000000000000000001111111111111000000000000000000000000000000000000000000000000
  27 00000000000000000000111111111111100000000000000000000000000000000000000000000000
  28 00000000000000000000011111111111110000000000000000000000000000000000000000000000
  29 00000000000000000000001111111111111000000000000000000000000000000000000000000000
  30 00000000000000000000000111111111111100000000000000000000000000000000000000000000
  31 00000000000000000000000011111111111110000000000000000000000000000000000000000000
  32 00000000000000000000000001111111111111000000000000000000000000000000000000000000
  33 00000000000000000000000000111111111111100000000000000000000000000000000000000000
  34 00000000000000000000000000011111111111110000000000000000000000000000000000000000
  35 00000000000000000000000000001111111111111000000000000000000000000000000000000000
  36 00000000000000000000000000000111111111111100000000000000000000000000000000000000
  37 00000000000000000000000000000011111111111110000000000000000000000000000000000000
  38 00000000000000000000000000000001111111111111000000000000000000000000000000000000
  39 00000000000000000000000000000000111111111111100000000000000000000000000000000000
  40 00000000000000000000000000000000011111111111110000000000000000000000000000000000
  41 00000000000000000000000000000000001111111111111000000000000000000000000000000000
  42 00000000000000000000000000000000000111111111111100000000000000000000000000000000
  43 00000000000000000000000000000000000011111111111110000000000000000000000000000000
  44 00000000000000000000000000000000000001111111111111000000000000000000000000000000
  45 00000000000000000000000000000000000000111111111111100000000000000000000000000000
  46 00000000000000000000000000000000000000011111111111110000000000000000000000000000
  47 00000000000000000000000000000000000000001111111111111000000000000000000000000000
  48 00000000000000000000000000000000000000000111111111111100000000000000000000000000
  49 00000000000000000000000000000000000000000011111111111110000000000000000000000000
  50 00000000000000000000000000000000000000000001111111111111000000000000000000000000
  51 00000000000000000000000000000000000000000000111111111111100000000000000000000000
  52 00000000000000000000000000000000000000000000011111111111110000000000000000000000
  53 00000000000000000000000000000000000000000000001111111111111000000000000000000000
  54 00000000000000000000000000000000000000000000000111111111111100000000000000000000
  55 00000000000000000000000000000000000000000000000011111111111110000000000000000000
  56 00000000000000000000000000000000000000000000000001111111111111000000000000000000
  57 00000000000000000000000000000000000000000000000000111111111111100000000000000000
  58 00000000000000000000000000000000000000000000000000011111111111110000000000000000
  59 00000000000000000000000000000000000000000000000000001111111111111000000000000000
  60 00000000000000000000000000000000000000000000000000000111111111111100000000000000
  61 00000000000000000000000000000000000000000000000000000011111111111110000000000000
  62 00000000000000000000000000000000000000000000000000000001111111111111000000000000
  63 00000000000000000000000000000000000000000000000000000000111111111111100000000000
  64 00000000000000000000000000000000000000000000000000000000011111111111110000000000
  65 00000000000000000000000000000000000000000000000000000000001111111111111000000000
  66 00000000000000000000000000000000000000000000000000000000000111111111111100000000
  67 00000000000000000000000000000000000000000000000000000000000011111111111110000000
  68 00000000000000000000000000000000000000000000000000000000000001111111111111000000
  69 00000000000000000000000000000000000000000000000000000000000000111111111111100000
  70 00000000000000000000000000000000000000000000000000000000000000011111111111110000
  71 00000000000000000000000000000000000000000000000000000000000000001111111111111000
  72 00000000000000000000000000000000000000000000000000000000000000000111111111111100
  73 00000000000000000000000000000000000000000000000000000000000000000011111111111110
  74 00000000000000000000000000000000000000000000000000000000000000000001111111111111
  75 00000000000000000000000000000000000000000000000000000000000000000000111111111111
  76 00000000000000000000000000000000000000000000000000000000000000000000011111111111
  77 00000000000000000000000000000000000000000000000000000000000000000000001111111111
  78 00000000000000000000000000000000000000000000000000000000000000000000000111111111
  79 00000000000000000000000000000000000000000000000000000000000000000000000011111111
  80 00000000000000000000000000000000000000000000000000000000000000000000000001111111
 CLSGEN_TB: Number of layers in a principal layer: NPRINC=           6
  Sub clsgen_tb  exiting <<<<<<<<<<<<<
 Dimension and Input Data CHECK
 NPRINCD  NLAYER
      10       8
-------+-------+---------------------------------------------------------------
   ncell :           10          80
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           19         900
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           35         900
   nfun  :           19         900
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000394  rnuc= 0.00010664  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Sb51 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z=51.00  a= 0.0250  b= 0.000417  rnuc= 0.00010595  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Te52 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z=52.00  a= 0.0250  b= 0.000378  rnuc= 0.00010664  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902753 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307262 rmt=  2.49480000 rmtnew=  2.50080882 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(242)= 0.1627   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   484 imt=   349
 rws=  3.51307262 rmt=  2.35620000 rmtnew=  2.36579466 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000394  rnuc= 0.00000000  r(2)= 0.00000998
 r(245)= 0.1754   drdi(1)= 0.00000985   drdi(irws)= 0.008023
 irws=   490 imt=   349
 rws=  3.51307263 rmt=  2.35620000 rmtnew=  2.36579477 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000417  rnuc= 0.00000000  r(2)= 0.00001055
 r(250)= 0.2101   drdi(1)= 0.00001042   drdi(irws)= 0.012502
 irws=   501 imt=   349
 rws=  3.51307263 rmt=  2.49480000 rmtnew=  2.50080873 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(266)= 0.2848   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   533 imt=   349
 rws=  3.59902755 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000378  rnuc= 0.00000000  r(2)= 0.00000958
 r(260)= 0.2451   drdi(1)= 0.00000946   drdi(irws)= 0.003070
 irws=   520 imt=   349
 rws=  3.59902752 rmt=  2.26710000 rmtnew=  2.27084890 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN DOWN            exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 <#Vac0 POTENTIAL SPIN UP              exc: Vosko,Wilk,Nusair       #serial: kkrjm_
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
 rmesh  z= 0.00  a= 0.0250  b= 0.000430  rnuc= 0.00000000  r(2)= 0.00001089
 r(242)= 0.1775   drdi(1)= 0.00001075   drdi(irws)= 0.008072
 irws=   484 imt=   349
 rws=  3.59902752 rmt=  2.57400000 rmtnew=  2.58145025 alat= 20.15697305
Doing calculation with potential: 7708288e18e7971f33e509e0b9fa8176  potential
Doing calculation with shapefun: b1e92e3cdfef305ecceec451aea55161  shapefun
 
===============================================================================
                    EPATHTB: generates a complex E contour
===============================================================================
 
     E min =    -1.200000 (Ry)        Fermi energy =     0.749915 (Ry)
     E max =     0.749915 (Ry)        Temperature  =   473.000000 (K )
     --------------------------------------------------------------
     GF integration rectangular contour ( ImE > 0 )
     Number of energy points :  60             poles = 7
                       contour: N1 = 7, N2 =  40, N3 = 6
 
 >>> SHAPE : IMAXSH(2310),NGSHD : 60000
===============================================================================
                  MADELUNG2D: setting 2D Madelung coefficients
===============================================================================
 
     < LATTICE2D > : generating direct/reciprocal lattice vectors

          R max = 302.35460 (a.u.)
          G max =  44.64956 (1/a.u.)

 Real space...
...sorting     5527 vectors...
 ...done.
 Reciprocal space...
...sorting     8245 vectors...
 ...done.
                         vectors  shells  max. R 
                         ------------------------------
          Direct  lattice   5527    1116  302.16562
          Recipr. lattice   8245    1988   44.62491
                         ------------------------------

     < EWALD2D > : calculating 2D-lattice sums inside the slab

===============================================================================
               BZKINT0: finding symmetry, setting BZ integration
===============================================================================

     < FINDGROUP > : Finding symmetry operations

        ------------------------------------------------------------
        surface symmetries found for this lattice:  6
        ------------------------------------------------------------
        E           IC2x        C3z         C3z-1       IC2A      
        IC2B      
        ------------------------------------------------------------

        Test option < fullBZ > or Run option < NEWSOSOL >:  overriding NSYMAT, generate full BZ k-mesh

     < BZKMESH > : creating k-mesh, write to file kpoints

        number of different k-meshes : 4
        the direct lattice  1 symmetries will be used

        -----------------------------------
        k-mesh NofKs N kx N ky N kz vol BZ
        -----------------------------------
             1  1600   40   40    1  7.8155
             2   784   28   28    1  7.8155
             3   400   20   20    1  7.8155
             4   196   14   14    1  7.8155
        -----------------------------------

     <SYMTAUMAT> : rotation matrices acting on t/G/tau

        ---------------------------------------------------------
        ISYM            INV          Euler angles      Unitarity
        ---------------------------------------------------------
         1   E           0   0.00000   0.00000   0.00000   T
        ---------------------------------------------------------

     < GFSHELLS > : setting up indices of the GF blocks

        Different shells for GF calculation :  80

     < GFMASK > : set KKR matrix inversion algorithm

        INVERSION algorithm used : BANDED MATRIX (slab)               

===============================================================================
                               < KKR0 finished >
===============================================================================

 create_newcomms_group_ie input:         240          60           4
==================================================
    MPI parallelization: use  240 ranks
    create processor array of size  4 x  60
                N_E
         <--------------->
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