[Wien] Orientation of Atomic Spin Moments

Chiung-Yuan Lin cylinwn at gmail.com
Sat Oct 29 00:39:45 CEST 2005


Dear All,
  I am calculating a system with 2 magnetic atoms in the unit cell. I
would like to see how the energies change with different relative
orientation between the spin moments of the 2 magnetic atoms. From
what I know, for a system with only one magnetic atom a SO calculation
can choose the direction of magnetization, and that tells the
orientation of the atomic spin moment. But for 2 magnetic atoms (or
more), the direction of magnetization won't tell the the spin-moment
orientations of individual atoms (at least I don't know how). Can
Wien2k figure out the relative orientation between the spin
moments of the magnetic atoms?

Thanks,
Chiung-Yuan


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