Er pseudopotential including f electrons?
Posted: Mon Nov 30, 2009 3:55 am
Hi, everyone
I need a Er pseudopotential to calculate a system including Er dopant. Vasp pseudopotential database supplies two Er pseudopotentials, which is named Er_2 and Er_3. I would like to know whether these tow potentials can be used for my system. If not, Is the Er potential including f electrons available throuth other ways?
I need a Er pseudopotential to calculate a system including Er dopant. Vasp pseudopotential database supplies two Er pseudopotentials, which is named Er_2 and Er_3. I would like to know whether these tow potentials can be used for my system. If not, Is the Er potential including f electrons available throuth other ways?