Dear wien2k users,
According to the Stoner band theory of magnetism, one can able to predict
the magnetic ground state of the material as it is paramagnetic or
ferromagnetic using product of the non magnetic density of states around the
Fermi level (N(E)) and the Stoner parameter (I). As given in
Hi Shamik,
Sayed's advice is good. There are also some procedures based on Fixed spin
moment calculations. You will have to think carefully about whether your
system is metallic or locaised type. The links in the appendix to this paper
should help:
Ylvisaker and Pickett, PHYSICAL REVIEW B 79,
I have no experience on calculation of stoner parameter and interesting to
learn it. However, by doing a simple spin polarized calculations with
nonzero and parallel initial moments on your system, you may easily find
whether your system prefers ferromagnetism or not. The initial magnetic
moments
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