[Wien] spin-obital coupling (LSDA+SO)

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Thu Jul 12 17:12:05 CEST 2007


>  Should We consider the SO for only the p orbitals?
>
>  
>
SO is always applied to all orbitals -- perhaps you are confused by the
'Relativistic Local Orbitals' (RLO), which are auxiliary basis functions
to avoid the need going to *very* large Emax values, and which are
defined in the case.inso file as well?

Stefaan


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