Pr pseudopotential with f state forzen in core
Posted: 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
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