[Pw_forum] Does anybody have the same problem for the relax calculation about the atom force

文沈 wshen02 at gmail.com
Thu Jul 30 23:09:27 CEST 2009


I checked that, the pseudopotential is fine.
Which version of Quantum espresso are you using?
I am using espresso-3.2.3

Best

Wen

On Wed, Jul 29, 2009 at 1:54 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jul 29, 2009, at 21:02 , 文沈 wrote:
>
> > Can you tell me which type of Pseudopotential you were using?
>
> can you read?
>
> > > Can you tell me which pseudopotential are you using?
> >
> > those on the quantum espresso web site
>
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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