[Wien] spin density
indrajit.bandyopadhyay at gmail.com
Wed Nov 15 22:50:38 CET 2006
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,
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