On Mar 11, 2012, at 13:23 , henry odhiambo wrote: > I want to extract the charge density for a hexagonal cell. > Is it possible with the four-index system (hkil)?
tha charge density can be easily extracted either in real space, rho(r), on a grid, or in reciprocal space, rho(G). Making the connection between these and the four-index system is your task 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
