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

[hamad@fhi-berlin.mpg.de]

Hi,
    Regarding your discussion, does this mean that this 'Relativistic
Local Orbitals' (RLO), is needed only for elements with 6p1/2
orbitals, what if we have a lighter element like Tungsten??

Best wishes
Bothina

>
>>  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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