Nb Pseudopotentials

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Cambridge QMC library

Niobium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 4d⁴5s¹ 6D (GS) ¤ 4d³5s² 4F ¤ 4d⁵ 6S ¤ 4d⁴5p¹ 6F	-
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	¤ 4d⁴5s¹ 6D (GS) ¤ 4d³5s² 4F ¤ 4d⁵ 6S ¤ 4d⁴5p¹ 6F	-

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