[Pw_forum] Zn 20 electrons pseudopotential

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue May 21 10:54:41 CEST 2013


On Tue, 2013-05-21 at 10:04 +0200, Bruno Camino wrote:

> I am looking for a Zn norm conserving pseudopotential with 20 explicit
> electrons (3d,3s,3p). Does anyone know where to find it?

in the usual place: the QE pseudopotential page. There is just one:
http://www.quantum-espresso.org/wp-content/uploads/upf_files/Zn.pz-spd-hgh.UPF
LDA, converted from Goedecker/Hartwigsen/Hutter/Teter format.
Presumably requires no less than half a zillion Ry cutoff.

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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