[gpaw-users] Fwd: slab-calculations

Peter Deák peter.deak at bccms.uni-bremen.de
Thu Oct 27 09:03:59 CEST 2011


> 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?

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

Peter




_________________________________________________
Peter Deak
Bremen Center for Computational Materials Science
Universität Bremen
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e-mail: deak at bccms.uni-bremen.de
http://www.bccms.uni-bremen.de/cms/people/p_deak/




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