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: [email protected] web: http://www.theory.physics.manchester.ac.uk/~mccsnrw _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
