Those that have been treaded as valence in the pseudo potential you choose for that atom. If you open the pseudo potential file, you can find the information on how many and which electrons have been included in the valence.
Giovanni > On 17 Nov 2016, at 14:33, ashkan shekaari <[email protected]> wrote: > > DEAR EXPERTS, > > For a given atom such as Mo, which shells are considered by Q. E. as the > valence? > -- > Regards, > Ashkan Shekaari > Plasma Physics Research Center > Science and Research Branch > I A U, 14778-93855 Tehran, Iran. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
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