[xcrysden] Error in rendering the Fermi surface with high kpoint density

[lung Fermin]

Dear Xcrysden community,

I want to render the Fermi surface of a system with a dense kmesh (no. of
irreducible kpoints > 10000) from WIEN2k. There was an error saying that
the 'NKPT is too small'.  So I followed a post on WIEN2k mailing list (
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15168.html)
and did the following:

1. copied the new source code in Prof. Blaha's attachment in the above
thread into $WIENROOT/SRC_kgen and recompile. The generated case.outputkgen
file now shows the kpoint properly.
2. In Xcrysden's source code, i change the NKP parameter in param.inc to
89000 (for NKP larger than this value, i got error during compilation).
3. replace wn_readbakgen.f with the one provided in this thread:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15219.html.
4. rebuild the excutables by "make all".

Then I go back to my calculation and run x kgen and render the fermi
surface in Xcrysden. However, there was an error when executing
wn_readbakgen which says

"At line 136 of file wn_readbakgen.f (unit = 8, file = 'Case.outputkgen')
Fortran runtime error: Bad integer for item 1 in list input"


Could someone please help?
Thanks in advance.

Best,
Fermin

------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20170614/08f35fa2/attachment.htm