[gpaw-users] EXX periodic boundary conditions
Alexander Lindmaa
alexande at ifm.liu.se
Tue Apr 19 10:22:16 CEST 2016
Hi all,
On 23/02/16 11:34, Alexander Lindmaa wrote:
> Hi there,
>
> Sorry for the spam, but I'm completely unfamiliar with the
> implementation of GPAW at this point.
> Thing is, I would like to perform exact exchange calculations for a
> surface system, i.e., with pbc in two dimensions. Moreover I need to
> be able to handle fractional occupation numbers.
>
> Does anyone know of the status of the EXX implementation? On the
> webpage, it says that the info on EXX is outdated. So, what are the
> current limitations on EXX?
>
> Many thanks
> Sincerely,
> Alex
>
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