[Pw_forum] Question regarding the charge density

[Paolo Giannozzi]

Somnath wrote:

> Is it possible to get the electronic and ionic charge density together ?

the "ionic charge density" is a sum of delta functions centered
at atomic positions: not really easy to visualize. You can replace
delta functions with gaussians and get something more manageable
(this is by the way how the CP code calculates the total energy).
It is however not currently implemented in pp.x

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy