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forum:data:2020:pes [2020/04/30 12:21] – Riccardo Piombo | forum:data:2020:pes [2020/04/30 12:38] (current) – Riccardo Piombo | ||
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+ | -- number of fermionic spin-orbitals | ||
+ | NF=20 | ||
+ | -- number of bosonic modes | ||
+ | NB=0 | ||
+ | |||
+ | -- 4d spin-orbitals in spherical harmonics basis | ||
+ | IndexDn_4d={ 0, 2, 4, 6, 8} | ||
+ | IndexUp_4d={ 1, 3, 5, 7, 9} | ||
+ | |||
+ | -- Ligand-P spin-orbitals in spherical harmonics basis | ||
+ | IndexDn_Ld={10, | ||
+ | IndexUp_Ld={11, | ||
+ | |||
--######################################### | --######################################### | ||