Dear all, After doing relax calculation for a magnetic system, the total magnetization turned to zero. However, doing scf calculation with the obtained structure from relax one results to the non-zero total magnetization.
I was wondering if you would guide me what is the difference between them and which of them is reliable. Regards, Mohaddeseh -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Room No. 323, Department of Physics, University of Tehran, North Karegar Ave., Tehran, P.O. Box: 14395-547- IRAN Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 Cellphone: +98 917 731 7514 E-Mail: [email protected] Website: http://physics.ut.ac.ir ---------------------------------------------------------
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