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
