[QE-users] QE 5.3 for DFT-D3

Pietro Delugas pdelugas at sissa.it
Thu Aug 2 09:06:04 CEST 2018


Hello


DFT-D3 it is implemented by sure in QE-6.3 version.

Basically one has to specify:


vdw_corr = 'grimme-d3'


in system namelist


you can find  more details and options here


http://www.quantum-espresso.org/Doc/INPUT_PW.html#idm45922794348896





On 02/08/2018 08:02, LEUNG Clarence wrote:
>
> Dear QE users,
>
>
> Is the DFT-D3 is implemented in QE 5.3 version? And how to use?
>
>
> Thanks.
>
>
> Clarence
>
> City University of Hong Kong
>
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180802/3e5929d1/attachment.html>


More information about the users mailing list