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 <dav...@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@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
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