Ir Pseudopotentials

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Cambridge QMC library

Iridium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 5d⁷6s² 4F (GS) ¤ 5d⁸6s¹ 4F ¤ 5d⁹ 2D ¤ 5d⁸6p¹ 4G	-
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	¤ 5d⁷6s² 4F (GS) ¤ 5d⁸6s¹ 4F ¤ 5d⁹ 2D ¤ 5d⁸6p¹ 4G	-

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