[Wien] basis states

[georg at chem.au.dk]

Because a combination of p and d can give a qtl with a l=3 symmetry.

Quoting Laurent Chaput <chaput at mines.inpl-nancy.fr>:

> 
> 
> 
> >You can either set the MAX L IN WF in in1 (limiting it to 2 will give large
> >discont at sphere).
> 
> That is what I have done first. But there are non-zero values for
> |<f|psi>|² in the qtl file (and then non-zero 
> f-DOS). Why?
> 
> > Or set the linearization energy of the unwanted l-states to
> >some large value (20 Ry or so)
> 
> Regards
> Laurent
> 
> 
> 
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