[Pw_forum] Error in a vc_relax calculation
giovanni.pizzi at epfl.ch
Thu Mar 27 15:54:47 CET 2014
as the output says:
calculation 'vc_relax' not allowed
And indeed vc_relax is not a valid calculation type. The valid string
you have to insert is 'vc-relax'.
On 03/27/2014 03:28 PM, 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.
> David Foster
> Ph.D. Student of Chemistry
> Pw_forum mailing list
> Pw_forum at pwscf.org
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