[QE-users] QE 5.3 for DFT-D3

[Pietro Delugas]

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
>
>
>
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> users mailing list
> users at lists.quantum-espresso.org
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