[Pw_forum] LDA, Normconserving Pseudo potentials for Zinc, sulphur and europium in QE

Paolo Giannozzi p.giannozzi at gmail.com
Sat Oct 17 07:52:05 CEST 2015


Many HGH pseudopotential files do not contain atomic
(pseudo-)wavefunctions. The projection over atomic states does not contain
any information on missing atomic states.

Paolo

On Fri, Oct 16, 2015 at 9:13 AM, Winfred Mulwa <mulwawinfred at gmail.com>
wrote:

> Dear all,
> I have used Eu.pz-sp-hgh.UPF pseudo potential in my Zns:Eu calculation,
> but i did not get Eu states after running projwfc.x. Please if you have the
> above named pseudo potentials which can be used in QE, help me please.
> Kind regards
> Mulwa Winfred.
> D Phil Student, Computational Material Science Group,
> University of the Free State - QwaQwa,
> South Africa.
>
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-- 
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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