[Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf

[Martin Andersson]

Hi,

You can download either LDA or PBE pseudopotentials for Zn from:

http://fpmd.ucdavis.edu/potentials/index.htm

and convert them to QE using the conversion tool qso2upf downloaded from:

http://eslab.ucdavis.edu/software/index.htm


Or you can convert pseudopotentials from www.abinit.org with converters 
in the QE distribution. Or you can generate your own...

Good luck,
Martin Andersson,
University of Copenhagen



On 7/9/2011 12:08 AM, bamidele ibrahim wrote:
>
> Dear all,
>   I needed to run epsilo.x to get optical properties, but the 
> pseudopotentials available on the QE page for Zinc has no norm 
> conserving pseudopotential. So, i will appreciate it if an assistance 
> can come from anybody from the forum. Also, if there is a way to make 
> epsilo.x recognised the USPP. Kindly put me through.
>
> Thanks
>
> Adetunji Bamidele Ibrahim
> Department of physics,University of Agriculture,
> Abeokuta, Ogun State,Nigeria.
>
>
>
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