[Pw_forum] strange DOS for an antiferromagnetic system

[mojdeh akhavan]

Dear users
Hi

I have studied a nanotube with an adsorbed metal atom. After scf
calculation, the total and absolute magnetic moments are 0.00 and 1.86. I
concluded that my system has antiferromagnetic spin ordering. I have read
in literature that in such cases the difference in up/down DOS is only
possible for subsets of atoms. However, when I calculate TDOS for the whole
system, the spin-up and spin-down curves are completely different!!! What's
wrong about this?

Thank you very much in advance

M. Akhavan, Ph.D.
Post-Doctoral Research Fellow
School of Nano-Science
Institute for Research in Fundamental Sciences (IPM)
P.O. Box 19395-5531 Tehran, Iran
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