[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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