[Pw_forum] slab Ewald sum quantum espresso
Niels R. Walet
Niels.Walet at manchester.ac.uk
Mon Oct 12 14:32:25 CEST 2015
The title says it all--Has anyone ever tried to replace the 3D Ewald sum
in quantum espresso with a quasi-2D slab Ewald sum (yes, I know, that
would not be general, and requires on using certain type of crystal unit
cells).
If it has bot been done, am I daft to think it should not be a total
mistake to implement it?
Niels
--
Prof. Niels R. Walet Phone: +44(0)1613063693
School of Physics and Astronomy Fax: +44(0)1613064303
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email: Niels.Walet at manchester.ac.uk
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