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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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