[gpaw-users] 2D PBC
Jens Jørgen Mortensen
jjmo at dtu.dk
Mon May 11 15:42:19 CEST 2020
On 11.05.2020 10.07, Michal Krompiec wrote:
> On Mon, 11 May 2020 at 08:24, Jens Jørgen Mortensen <jjmo at dtu.dk> wrote:
>> On 10.05.2020 21.13, Michal Krompiec via gpaw-users wrote:
>>> Hi, is 2D PBC in GPAW a “true” 2D in the PW implementation?
>> No, the boundary conditions in PW-mode are basically ignored.
> Thought so. Thanks for the clarification! But in FD and LCAO modes 2D
> PBC is working (thanks to the real-space representation), isn't it?
Yes, that's right.
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