[Wien] minor filtvec troubles

Pavel Ondracka pavel.ondracka at email.cz
Fri Mar 27 11:36:20 CET 2015


Dear Wien2k mailing list,

for some of my cases filtvec was mysteriously failing to open vector
files even when the vector files were completely valid. It turns out the
max length for file names in filtvec is 80 characters so if your CASE
directory is deep enough in in directory structure, it doesn't work
(this is problem only for vector files, since their path is always
absolute in def files). Increasing this limit in filtvec.f:5 fixes this.
Would it be possible to bump this limit up in the stock Wien2k?

Also for cases without the inversion symmetry the expected input file
for filtvec is CASE.infc, not CASE.inf. Is this a bug or feature? For
majority of programs (expect lapw1, lapw2 and maybe few more) the input
files doesn't have to have the "c" ending even for systems without
inversion symmetry.

Best regards
Pavel Ondračka






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