[Pw_forum] Choosing awin for planar average calculations

Paolo Giannozzi giannozz at democritos.it
Fri May 11 16:22:42 CEST 2012


On Thu, 2012-05-10 at 08:03 -0700, Izaak Williamson wrote:

> 
> I want to calculate the planar average of potential along a certain
> direction for a bulk supercell. Could anyone tell me how to choose the
> value for awin (window size for macroscopic averages)?

a lattice parameter of the original cell?

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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