Hf Pseudopotentials

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Cambridge QMC library

Hafnium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 5d²6s² 3F (GS) ¤ 5d³6s¹ 5F ¤ 5d⁴ 5D ¤ 5d³6p¹ 5G	-
2	Dirac-Fock AREP Trail & Needs summary	GAUSSIAN CRYSTAL	-	Spin-Orbit Pseudopotential
3	Dirac-Fock AREP Trail & Needs summary	GAMESS	-	-
4	Softer DF AREP Trail & Needs summary	Tabulated	¤ 5d²6s² 3F (GS) ¤ 5d³6s¹ 5F ¤ 5d⁴ 5D ¤ 5d³6p¹ 5G	-

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