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

文沈 wshen02 at gmail.com
Wed Jul 29 21:02:38 CEST 2009


I also runned the 1 1 1 kpoints here, still the same problem.

Can you tell me which type of Pseudopotential you were using?

I use all PBE pseudo

Thanks!

Wen

On Wed, Jul 29, 2009 at 11:20 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jul 29, 2009, at 20:03 , 文沈 wrote:
>
> > Can you tell me which pseudopotential are you using?
>
> those on the quantum espresso web site
>
> P.
> --
> 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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