[Pw_forum] pseudopotential for Gd

[Paolo Giannozzi]

JAIME GUSTAVO RODRIGUEZ ZAVALA wrote:

> I´m trying to do some tests of fullerenes containing an encapsulated 
> Gd atom. Does anybody has a pseudopotential for Gd?

excerpt from a message I sent some time ago:
---
as I already mentioned several times in this forum: the problem with
such elements [rare earths] is not only the pseudopotential (which IS
anyway a problem: generating ultrasoft PP's for those elements is a
full-time job) but the reliability of the current DFT approximations.
---

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy