Pseudopotential for Pr element with f orbital forzen at core

Moderators: torrent, jzwanzig

Post Reply
sbphys
Posts: 5
Joined: Mon Aug 19, 2019 8:44 pm

Pseudopotential for Pr element with f orbital forzen at core

Post by sbphys » Tue Sep 17, 2019 10:44 pm

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

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: Pseudopotential for Pr element with f orbital forzen at

Post by ebousquet » Sat Oct 26, 2019 9:39 pm

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

Post Reply