basis set for Ce

Eduardo Menendez-Proupin eari... at
Mon Dec 1 17:30:58 UTC 2008

I found a PADE pseudopotential for Cerium in cp2k distribution, but no
basis set. Where can I find one basis set for this pseudo?
I there any small core Ce pseudopotential availabe, e.g., including
4s4p4d electrons in the valence? Are there pseudopotentials adjusted
for different functionals?
I am very new with cp2k, :-( .
best regards

More information about the CP2K-user mailing list