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Cambridge QMC library

Osmium pseudopotential files

Fig. Description Representation CASINO
awfn.data
Further
data
1 Dirac-Fock
AREP
Trail & Needs
summary
Tabulated ¤ 5d66s2 5D (GS)
¤ 5d76s1 5F
¤ 5d8 3F
¤ 5d76p1 5G
-
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
¤ 5d66s2 5D (GS)
¤ 5d76s1 5F
¤ 5d8 3F
¤ 5d76p1 5G
-

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