[Pw_forum] PseudoPotential for Praseodymium (Pr) rare earth

rajiv kumar rajivchouhan at gmail.com
Wed Apr 27 18:02:32 CEST 2016


Hi All,
I am performing GGA+U+SpinOrbit calculation for Pr metal, and finding
difficulties because there is only one PseudoPotential available (i.e.
Pr.pz-sp-hgh.UPF
<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Pr.pz-sp-hgh.UPF>).
I need the pseudo potential similar to Nd.pbe-mt_fhi.UPF
<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Nd.pbe-mt_fhi.UPF>
which is uploaded by Layla Martin-Samos.
I am not very much expert in pseudo potential generation, so if anyone can
upload it I would be thankful.

Thank you,
Rajiv Kumar Chouhan,
Post-Doctoral Fellow,
Ames Laboratory,
Ames, Iowa - 50011, USA
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