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negative magnetic moment

Posted: Mon Oct 23, 2006 3:37 pm
by zhuanghl
I only set ISPIN=2 to realize the spin-polarized calculation.As known that it means the defaut value for each atom is 1.However after relaxation,the total magnetic moment becomes negative.I don't know how so?What does it mean?
Many thanks for your reply.

negative magnetic moment

Posted: Tue Oct 24, 2006 1:53 pm
by admin
it means that there is an excess of spin-down charge compared to spin up.