[Pw_forum] Error in a vc_relax calculation
Paolo Giannozzi
paolo.giannozzi at uniud.it
Thu Mar 27 16:20:49 CET 2014
'vc-relax', not 'vc_relax'
P.
On Thu, 2014-03-27 at 07:28 -0700, David Foster wrote:
> Dear Users,
> I have relaxed a bulk of Pd with "calculation=relax", but I get error when I change it with
>
> "calculation=vc-relax". I added the card needed to the input. I have attached input and
>
> its output containing the error.
>
> It will be appreciated if anyone help.
>
>
> Regards
>
> David Foster
>
> Ph.D. Student of Chemistry
> _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users
mailing list