Yes, both vdw-DF (nonlocal XC functional) and DFT-D2 (Grimme) are implemented for phonons since v.5.4
Paolo On Mon, Dec 19, 2016 at 11:18 AM, MICHALCHUK Adam <[email protected]> wrote: > Dear developers, > > > Was hoping someone could give a quick summary of which vdW corrections are > implemented through for ph.x? The phonon.f90 header doesn't appear to have > been updated (it still lists non-local and semi-empirical vdw corrections as > not implemented for ph.x, but I believe this is no longer the case as of > v5.4?). > > > I know the non-local vdw-dft have been coded for ph.x, but wondering if the > semi-empirical (DFT-D/ TS-vdW) have as well? > > > Very many thanks! > > Adam > > > UoEdinburgh > > > The University of Edinburgh is a charitable body, registered in > Scotland, with registration number SC005336. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
