[Pw_forum] semiempirical dispersion correction
Alexandra Davila
davila at theo-physik.uni-kiel.de
Thu Apr 27 17:16:24 CEST 2017
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
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