On Aug 2, 2011, at 3:49 , hanghui chen wrote: > 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?
because whoever filled that table assumed trivalent Eu? P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
