Hi,
I modified the code a little but to do this.
You'll get the idea here
http://voznyy.elinity.com/blog/2008/01/bader-analysis-with-siesta/
Some code is there, but it's not final. I'll be glad to finish it with
someone's help.
Michel Sassi wrote:
Hi everybody,
I would like to extract the total electron density (core+valance)
at the end of SIESTA calculations in order to use it in a Bader analysis.
How can i take into account the core electron density in the .RHO file ?
Have you some suggestions ?
Thank you, best regards.
Michel Sassi.
