[Pw_forum] How to get atomic partial charge for MD

[Paolo Giannozzi]

On Feb 13, 2007, at 16:03 , Konstantin Kudin wrote:

>  By the way, is "naivebamboo" an actual name, or, at least,
> a nickname? :-)

or maybe, just the translation of "Baoling" ?

>  Anyways, back to the topic, since there is some value in answering
> questions that might be of interest to others.

or in pointing to previous answers, since this is not the first time
this issue is raised: there are some in the archives of pw_forum,
both for Lowdin/Mulliken charges and for Bader analysis.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy