[Pw_forum] Sm2S3 calculations

[Paolo Giannozzi]

On Nov 22, 2012, at 2:10 , Hrachya Kyureghian wrote:

> I definitely have
>
>         calculation='scf'

you cannot get a message like the one you mentioned by
simply running a single instance of a self-consistent run.

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