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. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
