[Pw_forum] Mulliken charges

[Paolo Giannozzi]

On Nov 20, 2009, at 9:17 , Olga Sedelnikova wrote:

> How can I get the Mulliken charges using PWcsf code?

you have to adapt the code "projwfc.f90". Presently it calculates Lowdin
charges. See the many messages in the mailing list about this subject,
in particular this one:
http://www.democritos.it/pipermail/pw_forum/2008-January/008142.html

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