Page 1 of 1

Basis set for Curium (Cm)

Posted: Tue Dec 21, 2010 9:25 am
by Robert
Dear all,
I would like to do calculations of the incorporation of
Curium (Cm) into Calcit. Does anybody know if there is a Cm
PAW_PBE basis set around.

I appreciate your help,
Robert

Basis set for Curium (Cm)

Posted: Thu Dec 30, 2010 1:34 pm
by admin
no, sorry, a potential for Cm has not been generated yet. Please contact
Prof Georg Kresse directly to ask him to generate this POTCAR for you

Basis set for Curium (Cm)

Posted: Thu Jan 06, 2011 11:00 am
by Robert
Thanks!