[Q-e-developers] DFT+D3, D3BJ ?

Paolo Giannozzi p.giannozzi at gmail.com
Wed Jun 15 12:52:44 CEST 2016


Yes, somebody is working on it, stay tuned

Paolo

On Wed, Jun 15, 2016 at 12:22 PM, Davide Ceresoli
<davide.ceresoli at cnr.it> wrote:
> Dear all,
>      is anyone already implementing the Grimme D3 and D3BJ
> variations of empirical dispersion? I came across to a library
> by Balint Aradi (https://github.com/aradi/dftd3-lib) that
> could be included in QE.
>
> Best,
>      Davide
>
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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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