[gpaw-users] slab-calculations

[Jens Jørgen Mortensen]

On 25-10-2011 08:42, Peter Deák wrote:
> Hi!
>
> I'm considering GPAW for 2D-periodic slab and finite nanocluster calculations. I understand that these can be done with GPAW in a 3D-periodic box including some vacuum. Is it possible to define the grid spacing differently for the vacuum and in the slab/cluster? (Of course, it would be best to have it zero.)

No.  GPAW uses uniform grids only.

Jens Jørgen

> Thanks for any help.
>
> Peter Deak
> _________________________________________________
> Peter Deak
> Bremen Center for Computational Materials Science
> Universität Bremen
> P.O.Box 330 440
> 28334   Bremen
> Germany
> Tel: 0421/218-62353
> Fax: 0421/218-62770
> e-mail: deak at bccms.uni-bremen.de
> http://www.bccms.uni-bremen.de/cms/people/p_deak/
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users