[Wien] Beween non spin polarized and spin polarized calculations

[Abderrahmane Reggad]

Sorry for the error

What is the difference between the two cases: fcc Fe an fcc Au?

In the first case (fcc Fe), there is a ferromagnetic solution with
magnetic moment equal to 0.96 MB but it's higher in energy than NM
solution

and

in the second case ( fcc Au) the spin polarized calculation converges
to a zero moment solution
which should be identical to the non spin polarized one.


-- 
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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