[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 




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