On Sep 20, 2012, at 16:15 , Derek Stewart wrote:
> I assume this hasn't been corrected in the 4.3.x versions that are
> available on the web.
it hasn't (and will never be)
> Also, is there anything in the output file that gives us a clue that
> this error occurs
look at the line "Exchange-correlation": it should look like
Exchange-correlation = SLA PW GGX GGC ( 1 4 2 2 0)
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
