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

Paolo Giannozzi giannozz at democritos.it
Thu Jun 30 15:45:52 CEST 2011


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.
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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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