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

Davide Ceresoli davide.ceresoli at cnr.it
Wed Jun 15 12:22:01 CEST 2016


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




More information about the developers mailing list