[Pw_forum] implementation of DFT-D3

Paolo Giannozzi p.giannozzi at gmail.com
Mon May 11 15:57:56 CEST 2015

DFT-D3 is not currently implemented. I don't know if anybody is working on
it. The comments contained in Modules/mm_dispersion.f90 should give some
clues on what has to be done.


On Mon, May 11, 2015 at 2:02 PM, Behnaz Bagheri <behnaz.bagheri15 at gmail.com>

> Dear all,
> Does anybody know whether DFT-D3 has been implemented in PWscf or not yet?
> If not, is anybody implementing it?
> Thank you,
> Behnaz
> -------------------------------
> With kind regards,
> Behnaz Bagheri Varnousfaderani
> PhD Candidate
> Department of Mathematics and Computer Science
> Centre for Analysis,Scientific Computing, and Applications W&I
> Institute for Complex Molecular Systems
> Technical University of Eindhoven
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150511/cd7ad695/attachment.html>

More information about the users mailing list