On Aug 22, 2012, at 16:06 , yavar pour azar wrote: > I think if we introduce excess charges by "tot_charge" utility in > slab , > after scf they should be localize on the surface, as the "surface > charge" > is this true?
maybe, Or maybe not: all you can do is to add charge to the system, but you cannot force the charge to go where you like it to go P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
