[Wien] maximum number of k points

[Rocquefelte]

You can look at the file main.f in the directory SRC_kgen:

  1520 FORMAT(I10,4I10,f5.1)
  1521 format('END',/)
  1523 FORMAT(I10,4I10,3f5.1,4x,i6,' k, div: (',3i3,')')

You see that the format is clearly I10.

Similarly in the SRC_lapw1 directory, look at the file inilpw.f:

  5101 FORMAT(A10,4I10,3F5.2,A3)

Regards

Xavier




Le 5/31/2013 10:26 AM, Yundi Quan a écrit :
> Hi,
> I'm carrying out a calculation with a very dense k-mesh (166000).
> Though scf calculation finished without error, I could not plot the
> Fermi surface due to the format of case.outputkgen. In the
> case.outputkgen file, the maximum number of k points is 99999. When
> the number of k points is larger than 99999, it gives *****. In order
> to print the number correctly, I need to change the format to '(I6)'.
> Which fortran file in the SRC_kgen folder should I change. And which
> line? Thanks a  lot.
>
> Here is a excerpt from case.outputkgen
>
> 99994       45  12  24    3830   1.00000  16.00000
> 99995       45  12  25    3829   1.00000  16.00000
> 99996       45  12  26    3828   1.00000  16.00000
> 99997       45  12  27    3827   1.00000  16.00000
> 99998       45  12  28    3826   1.00000  16.00000
> 99999       45  12  29    3825   1.00000  16.00000
> *****       45  12  30    3824   1.00000  16.00000
> *****       45  12  31    3823   1.00000  16.00000
> *****       45  12  32    3822   1.00000  16.00000
> *****       45  12  33    3821   1.00000  16.00000
> *****       45  12  34    3820   1.00000   8.00000
> *****       45  12  35     519   1.00000  13.50000
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