surface in NWPW or BAND
Gets Around
10:28:38 PM PDT - Fri, Apr 13th 2012
I was wondering how do I model adsorption on surfaces in NWPW or BAND? It says that both can handle surfaces but it's unclear on how to deal with the absence of the third dimension. Do I specify a box large enough in z dimension to avoid interactions,e.g. true 2D treatment is still unavailable?

Again, which method is better for adsorption modelling, NWPW or BAND?

Any examples would be appreciated

J


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