[gpaw-users] DFT-D3

Jens Jørgen Mortensen jjmo at dtu.dk
Mon Sep 4 11:29:38 CEST 2017


On 08/30/2017 01:35 AM, Taha Salavati-Fard via gpaw-users wrote:
> Dear GPAW users,
>
> I am trying to perform some calculations of DFT+D3 method with GPAW. 
> It is almost trivial with VASP as you just add IVDW=12. Can anyone 
> please let me know if there is a way to do DFT+D3 with GPAW?

You can use this:

     https://gitlab.com/ehermes/ased3

Jens Jørgen

> Thanks--Taha
>
>
>
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