[Wien] spin density

[Indrajit Bandyopadhyay]

Dear All,

I have a question regarding spin density in
collinear magnetic calculation. I searched in
the archive for an answer to my question, but
could not find. The question is: Is it possible
to obtain the difference between spin-up and spin-dn
charge nonintegral (say 0.56, 3.48) instead of integers?
In what circumstances, I may expect that situation?
Is it due to occupancy of ghost bands i.e. bands whose
energies Ei > Ef (Fermi energy).

Thanks a lot for your answers,

Indrajit
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20061115/2e938cf0/attachment.html