[Pw_forum] Mulliken population analysis

Crepisson Celine celinecrepisson at hotmail.fr
Wed Dec 14 18:11:42 CET 2016


Dear QE community


I would like to perform a Mulliken population analysis: so far I only found out how to realize a Lowdin charge analysis,

I would like to know if Mulliken population analysis is available as post processing ?

and in what extend results from Lowdin analysis regarding partial charges are comparable to Mulliken population analysis ?


Thank you very much for your help,

Celine
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161214/b85d3814/attachment.html>


More information about the users mailing list