[Pw_forum] charge density output format from pp.x

[Paolo Giannozzi]

On Apr 1, 2011, at 23:01 , jorge.gallardo at cab.cnea.gov.ar wrote:

> Is there a way to get the electron density as a function of spatial
> coordinates(say, rho(x,y,z) ) using Quantum Espresso?

you can extract the charge density (with pp.x) in a number of different
formats. For the relation between indices and positions in real space:
http://www.quantum-espresso.org/user_guide/node23.html

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