[Pw_forum] Hubbard U on Eu 4f orbitals
hanghui chen
chenhanghuipwscf at gmail.com
Tue Aug 2 03:49:34 CEST 2011
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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