[Pw_forum] conflicting values icorr /igcx
joerg.buchwald at iom-leipzig.de
Tue Nov 1 17:34:54 CET 2011
I'm trying to model bulk sapphire with norm conserving potentials for O
respectively for Al and O and I get the following error:
from set_dft_from_name : error # 1
conflicting values for icorr
The same input file worked with ultrasoft and gradient corrected
ultrasoft potentials, but with any of the ncpp (which
I got also from the quantum espresso website) it didn't.
I can't figure out what the sourcecode really does at that point and
the error seems to be quite undocumented.
Thanks for hints,
Leibniz-Institut fuer Oberflaechenmodifizierung e.V.
Phone: +49 341 / 235-3367
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