[Pw_forum] MD+vdW-DF is not implemented?

WANG Wei wonvein at gmail.com
Fri Jul 1 18:37:46 CEST 2011


Dear Prof. Giannozzi,

Thank you for your reply. That's a good news for me! I am performing some
BOMD tests with vdW-DF.

Sincererly yours?
WANG

On 30 June 2011 22:45, Paolo Giannozzi <giannozz at democritos.it> wrote:

>
> On Jun 30, 2011, at 8:01 , WANG Wei wrote:
>
> > I note that the vdW-DF is not implemented in MD calculations
> > (md, vc-md, and cp)?
>
> is this a question or a statement? in any case: vW-dDF is not
> implemented for Car-Parrinello dynamics (code CP) and in
> linear-response (phonon) calculations
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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