[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
>
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
More information about the gpaw-users
mailing list