[Pw_forum] epsilon run
Paolo Giannozzi
paolo.giannozzi at uniud.it
Thu May 8 12:55:59 CEST 2014
On Thu, 2014-05-08 at 10:14 +0800, H.Y Geoffrey Tse wrote:
> The scf calculation in prior to run was doing fine,
> but somehow crashes when doing the eps run.
it doesn't crash "somehow": it crashes because it doesn't find
the data file. More exactly, the code doesn't seem to look for
the correct file. I guess that this is related to the presence
in your input of funny characters instead of plain ' ' quotes.
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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