[Wien] correspondence between QTL and LMAX parameters

[Martin Gmitra]

Dear Wien2k users,

I have considered LMAX=2 and LNSMAX=2 for Aluminium. The DOS contains
non zero f character. Why there is a non zero contribution to the f-like
QTL?
The wave function should have s,p and d character only, is not it?

Thanks,
Martin Gmitra
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090116/969434fb/attachment.html