[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
The University of Manchester           Mobile: +44(0)7905438934
Manchester, M13 9PL,  UK               room 7.7, Schuster Building
email: Niels.Walet at manchester.ac.uk
web:   http://www.theory.physics.manchester.ac.uk/~mccsnrw




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