[Pw_forum] how calculate Mulliken charges and NBO charge with Qs

Nasim Ha nasim.h1364 at gmail.com
Mon Jun 19 08:42:23 CEST 2017


Dear all,
I want to calculate Mulliken charges and NBO charge by quantum
Espresso code,but i don't know how use of it.please help me.
Thanks.

-- 
N.H.Jazi
PhD student of Physics.
Physics Department,Central Tehran Branch,Islamic Azad
University,Tehran,88074907,Iran.



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