[Pw_forum] Does PWSCF have a bug when optimizing the structure in one electric field?

Paolo Giannozzi giannozz at nest.sns.it
Thu Oct 11 12:49:00 CEST 2007

On Oct 8, 2007, at 16:55 , Giovanni Cantele wrote:

>> Maybe the version I used is old.
> I think 3.2 (+patches for 3.2.1 and 3.2.2) is the latest.

actually the latest "stable" is 3.2.3 and it is already available
from the download page of www.pwscf.org (it hasn't been
announced because the web sites haven't yet been updated).
It doesn't  fix, to the best of my knowledge, any problem in
calculations under an electric field, though.

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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