I guess this number doesn't really matter, hope some one can confirm or correct me, thanks you very much.
On Mon, Aug 1, 2011 at 9:49 PM, hanghui chen <chenhanghuipwscf at gmail.com> wrote: > To whom it may concern, > ???? I have a naive question. I would like to run a LSDA+U calculation on > EuO. I checked the subroutine tabd.f90 and found that the default number of > localized electrons for Eu 4f is 6. However, since Eu has 4f^7 5d^0 6s^2 > atomic configuration, why is the number NOT 7? > ???? Thank you very much. > > Hanghui Chen > Department of Physics > Yale University > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Jia Chen