[xcrysden] Problem with case.outputkgen reading during Fermi Surface rendering

[Samolyuk, German D.]

Dear colleagues,

I'm trying to plot Fermi Surface in LuNb6Sn6 compound.

Error happens during - Executing: xcrysden-1.6.2-bin-shared/bin/wn_readbakgen bakgen.def

At line 136 of file wn_readbakgen.f (unit=8, file = 'LuNb6Sn6_fs1.outputkgen'  )
Fortran runtime error: Bad integer for item 1 in list input

I attached LuNb6Sn6_fs1.struct. The LuNb6Sn6_fs1outputkgen file is to big to be attached. It has been obtained executing  >x klist -fbz for 500 kpoints.

Do you know how to resolve the issue?

I need BXSF file, didn't fine any other ways to obtain the files from Wien2K calculations

Thank you,

German

Dr. German D Samolyuk
Materials Theory Group
Materials Science & Technology Division
Oak Ridge National Laboratory
Post Office Box 2008
Oak Ridge, TN 37831-6138
(865) 241-5394
(865) 241-3650 (FAX)
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