01.12.2013 00:06, t...@theochem.tuwien.ac.at пишет:
No, it is not possible to fix the spin moment in a sphere. Only the total
spin moment in the unit cell can be fixed.
On Sat, 30 Nov 2013, Alaska Subedi wrote:
Is it possible to do fixed spin moment calculations for
antiferromagnetic order in Wien2k?
Dear Alaska,
Once, when I needed to see a dependence on magnetic moments in AFM
system, I have used a temperature broadening of the Fermi level which is
analog of Stoner excitations. The atomic magnetic moments then decrease,
with "a Curie temperature" much higher than in reality. Of course, there
hardly exists a physical sense in this procedure, I used it only to
understand some behavior on the moment magnitude.
You can see in
PHYSICAL REVIEW B 69, 184404 2004
Best wishes
Lyudmila Dobysheva
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