[Pw_forum] implementation of DFT-D3
Paolo Giannozzi
p.giannozzi at gmail.com
Mon May 11 15:57:56 CEST 2015
DFT-D3 is not currently implemented. I don't know if anybody is working on
it. The comments contained in Modules/mm_dispersion.f90 should give some
clues on what has to be done.
Paolo
On Mon, May 11, 2015 at 2:02 PM, Behnaz Bagheri <behnaz.bagheri15 at gmail.com>
wrote:
> Dear all,
>
> Does anybody know whether DFT-D3 has been implemented in PWscf or not yet?
> If not, is anybody implementing it?
>
> Thank you,
> Behnaz
>
> -------------------------------
> With kind regards,
> Behnaz Bagheri Varnousfaderani
> PhD Candidate
> Department of Mathematics and Computer Science
> Centre for Analysis,Scientific Computing, and Applications W&I
> Institute for Complex Molecular Systems
> Technical University of Eindhoven
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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