Pr pseudopotential with f state forzen in core

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

Pr pseudopotential with f state forzen in core

Post by sbphys » Fri Sep 13, 2019 5:47 pm

Dear experts,

I am quite new in abinit. I want to do noncollinear calculation using abinit and I need Pr pseudopotential which should have f states forzen in the core. I have got one pseudopotential for Pr element in Pr.GGA_PBE-JTH.xml where valence electrons have 4f states. I need a pseudopotential to do noncollinear SOC calculation where I can treat the f states frozen in the core.

Can anyone please help me with finding the right pseudopotential?


Thank you in advance,

SantuB

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