[Pw_forum] charge density in o2 molecule

[Paolo Giannozzi]

On Nov 19, 2010, at 16:54 , farid taherkhani wrote:

> I do not know what is the content of "o2 charge" file?
> what are the variables ? As a matter of fact in  "o2charge"
> file there are many numbers by 5 columns any many rows.
> I want to find the position of  maximum charge density in
> o2 molecule. I do not know how can I do that?

files produced by post-processing codes are not for human
consumption. If you want to see where the maximum is,
the simplest way is to make a plot three-dimensional plot
with XCrySDen or similar software

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