[Pw_forum] Hubbard U on Eu 4f orbitals
jiachen at princeton.edu
Tue Aug 2 05:05:16 CEST 2011
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
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