[Pw_forum] Zn PBE PAW pseudopotential download

Giovanni Cantele giovanni.cantele at spin.cnr.it
Mon Jun 20 15:09:13 CEST 2016


Users writing to this forum are usually kindly requested to include their signature and affiliation. This being said,
you can download PSlibrary 1.0.0, that is a quantum-espresso related library of pseudo potentials
http://www.qe-forge.org/gf/project/pslibrary/ <http://www.qe-forge.org/gf/project/pslibrary/>
containing input files for pseudo potential generation.

After compiling/running the needed files you’ll find the pseudo Zn.pbe-spn-kjpaw_psl.1.0.0.UPF that should be what
you are interested in.

Giovanni


> On 20 Jun 2016, at 14:51, Abolore Musari <abmus007 at gmail.com> wrote:
> 
> Dear Sir, 
> I need pseudopotetial for Zn within Perdew-Burke-Enzerhof (PBE) with projected augmented wave (PAW) for quantum espresso package. 
> I couldnt get it quantum-espresso. Org downloads. 
> Thanks in anticipation of your favourable reply
> 
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele

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