Thanks tran for your anwser What is the difference between the two cases: fcc Fe an fcc Au?
In the first case, there is a ferromagnetic solution with magnetic moment equal to 0.96 MB but it's higher in energy than NM solution and the second solution the spin polarized calculation converges to a zero moment solution which should be identical to the non spin polarized one. Best regards -- Dr. Abderrahmane Reggad Engineering Physics Laboratory Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, Algeria Tel: +213(0)561861963 - Algeria
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