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Pseudopotential for Pr element with f orbital forzen at core

Posted: Tue Sep 17, 2019 10:44 pm
by sbphys
Dear all,

Please help me to find a pseudopotential for the Pr element containing f orbitals not in the valence but in the core. I cannot find such potential to use with abinit.


Thank you,

Santu

Re: Pseudopotential for Pr element with f orbital forzen at

Posted: Sat Oct 26, 2019 9:39 pm
by ebousquet
Dear Santu,
Do you want norm-conserving or PAW pseudos?
For norm-conserving you can find them on the pseudo-dojo website in the Type-->NC SR3+ (http://www.pseudo-dojo.org/).
Best wishes,
Eric