[Pw_forum] Which vdW Schemes are in DFPT?

Paolo Giannozzi p.giannozzi at gmail.com
Mon Dec 19 15:43:05 CET 2016

Yes, both vdw-DF (nonlocal XC functional) and DFT-D2 (Grimme) are
implemented for phonons since v.5.4


On Mon, Dec 19, 2016 at 11:18 AM, MICHALCHUK Adam
<adam.michalchuk at ed.ac.uk> 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.
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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

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