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
