[Pw_forum] Help for a NC PS for Zn
Nicola Marzari
nicola.marzari at materials.ox.ac.uk
Sat Jun 25 14:00:14 CEST 2011
On 6/25/11 12:47 PM, Mahdi Mirnezhad wrote:
> Dear Users,
> I need a NC PS for ZN,
> any suggestion appreciated,
> Thanks in advance,
You can download FHI98PP (google it), generate the Troullier-Martins
pseudo there, and convert it to UPF using the QE upftools program
fhi2upf.
nicola
--
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Prof Nicola Marzari Department of Materials University of Oxford
Chair of Materials Modelling Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk http://mml.materials.ox.ac.uk/NM
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