Ba Pseudopotentials

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Cambridge QMC library

Barium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 6s² 1S (GS) ¤ 6s¹6p¹ 3P ¤ 5d¹6s¹ 3D	-
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	¤ 6s² 1S (GS) ¤ 6s¹6p¹ 3P ¤ 5d¹6s¹ 3D	-

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