[Wien] magnetic properties with Wien2k

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Tue Aug 2 22:04:47 CEST 2005


> I have some question about magnetic properties, the Wien2k give us
> the 
> magnetic moment when we perform spin polarised calculations.
> 
> I want to know if it is possible to have other interessting magnetic
> properties for any systems.

You can get also the orbital magnetic moment using spin-orbit coupling
and lapwdm, and the magnetic hyperfine field (Fermi contact contribution
in :HFFxxx, orbital and spin-dipolar field when using spin-orbit and
lapwdm). Furthermore, you can distinguish between various (collinear)
magnetic arrangements by comparing total energies, in order to find the
ground state arrangement (ferromagnetic, antiferromagnetic, ...).

Stefaan



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