[Pw_forum] semiempirical dispersion correction

[Layla Martin-Samos]

Dear Alexandra, the implementation is going and should be committed on the
trunk before summer.

cheers

Layla

2017-04-27 17:16 GMT+02:00 Alexandra Davila <davila at theo-physik.uni-kiel.de>
:

> Dear QE-user,
>
> I would like to know if the semiempirical D3 dispersion correction
> scheme of Grimme is in QE implemented.
> And is it possible to exclude the dispersion correction from some metal
> layers of my system? If  yes, how?
>
> thanks a lot,
>
> --
> A. Dávila
> AG. Pehlke
> Institut für Theoretische Physik und Astrophysik
> Christian-Albrechts-Universität zu Kiel
> Leibnizstr. 15
> 24118 Kiel
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170427/2b34b1e6/attachment.html>