[gpaw-users] Fwd: slab-calculations

[Jens Jørgen Mortensen]

On 27-10-2011 09:03, Peter Deák wrote:
>> No.  GPAW uses uniform grids only.
>> Jens Jørgen
>>
>
> Thanks! Would GPAW then bring any advantage over a plane wave based PAW code in a slab (or finite cluster) calculation?

That will depend on the system size and many other things, so I would 
recommend that you do some tests first to see what works best.

> One more layman's question: is a muffin-tin like approach for defining the grid principally hopeless?

Not quite sure what you mean.

If you are worried about wasting grid-points for your wave functions in 
the vacuum region, then you could use LCAO mode:

   https://wiki.fysik.dtu.dk/gpaw/documentation/lcao/lcao.html

Jens Jørgen

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