[Pw_forum] Charge Density

[Paolo Giannozzi]

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.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222