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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120731/76ddb2c5/attachment.htm
