[Pw_forum] Error in a vc_relax calculation

[Giovanni Pizzi]

Dear David,
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'.

Best,
Giovanni


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.
>
>
> Regards
>
> David Foster
>
> Ph.D. Student of Chemistry
>
>
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-- 
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124

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