[Wien] basis states

[georg at chem.au.dk]

You can either set the MAX L IN WF in in1 (limiting it to 2 will give large
discont at sphere). Or set the linearization energy of the unwanted l-states to
some large value (20 Ry or so)

 Georg

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

> 
> Dear wien users,
> 
> When I read the example on bcc-Fe in the S. Cottenier introduction to DFT,
> there are 
> Fe-f states in the DOS. Definitely, this is not a bad thing, but I would
> like to know how to restrict the basis to s,p and d states only (even if
> there are discontinuities on the MT spheres).
> I tried to change LMAX and V-NMT in the case.in1 file but I didn't get what
> I expected.
> 
> Thanks in advance
> Laurent Chaput 
> 
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