Ca Pseudopotentials

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Cambridge QMC library

Calcium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 4s² 1S (GS) ¤ 4s¹4p¹ 3P ¤ 3d¹4s¹ 3D	Core-Polarization
2	Dirac-Fock AREP Trail & Needs summary	GAUSSIAN CRYSTAL	-	Spin-Orbit Pseudopotential
3	Dirac-Fock AREP Trail & Needs summary	GAMESS	-	-
4	Hartree-Fock Trail & Needs summary	Tabulated	¤ 4s² 1S (GS) ¤ 4s¹4p¹ 3P ¤ 3d¹4s¹ 3D	Core-Polarization
5	Hartree-Fock Trail & Needs summary	GAUSSIAN CRYSTAL	-	-
6	Hartree-Fock Trail & Needs summary	GAMESS	-	-
7	Softer DF AREP Trail & Needs summary	Tabulated	¤ 4s² 1S (GS) ¤ 4s¹4p¹ 3P ¤ 3d¹4s¹ 3D	Core-Polarization

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