[Wien] Fixed-spin-moment Calculation

[Peter Blaha]

>     I am sorry that it may be a simple question. I want to calculate a crystal
> with 16 up-electrons and 12 down-electrons per unit cell using
> Fixed-spin-moment method, and what is the number should I input for FSM?

Well: 16 - 12 = 4, so you want a moment of 4 uB !!?? I don't think this
was too difficult.

> Besides, what is the unit of FSM, is it muB?

It is the number of up - dn spin electrons. So when you know the magnetic
moment of an electron you know .....

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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