[Pw_forum] RE : Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)

[Paolo Giannozzi]

On Tue, 2013-12-03 at 15:30 +0000, Elliot Menkah wrote:

> Can you please advice me on which of the various pseudo-potentials 
> of Nickel that is a GGA pseudo potential please.

you can select a functional from the menu in this page:
  http://www.quantum-espresso.org/pseudopotentials/
Or, just look at the file name: GGA pseudopotentials have names 
like Ni.pbe-*.UPF, Ni.pw91-*.UPF, ... Naming convention here:
  http://www.quantum-espresso.org/pseudopotentials/naming-convention/
P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222