[Wien] logical bug in Tmaker.f
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu Nov 6 09:10:14 CET 2014
Martin Gmitra <martin.gmitra at gmail.com> reported a logical bug in
SRC_Tmaker/Tmaker.f (called by the script makestruct_lapw).
I'm trying to catch "inaccurate" specification of positions like 1/6,
1/3, 2/3, ... and ask the user whether this should be exactly 1/3, ....
However, even if he says "no", it will be set to exactly 1/3, ...
The fix can be done by replacing ALL if statements of the form:
if(yn .ne. 'n' .or. yn .ne. 'N') ...
to
if(yn .ne. 'n' .and. yn .ne. 'N') ...
Please note, there are several such statements, in TWO DIFFERENT places
in Tmaker.f, so make sure you search for all ".or."
Thanks for the report.
--
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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