[Pw_forum] conflicting values icorr /igcx

Jörg Buchwald joerg.buchwald at iom-leipzig.de
Tue Nov 1 17:34:54 CET 2011


Hi,
I'm trying to model bulk sapphire with norm conserving potentials for O
respectively for Al and O and I get the following error:
--
  stopping ...
     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,
Jörg


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