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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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<div>Dear All,</div>
<div>&nbsp; I am calculating a system with 2 magnetic atoms in the unit cel=
l.</div>
<div>I would like to see how the energies change with different relative</d=
iv>
<div>orientation between the spin moments of the 2 magnetic atoms.</div>
<div>From what I know, for a system with only one magnetic atom a</div>
<div>SO calculation can choose the direction of magnetization, and that</di=
v>
<div>tells the orientation of the atomic spin moment. But for 2 magnetic at=
oms</div>
<div>(or more), the direction of magnetization won't tell the the spin-mome=
nt</div>
<div>orientations of&nbsp;individual atoms (at least I don't know how).</di=
v>
<div>&nbsp; Can Wien2k figure&nbsp;out the relative orientation between the=
 spin</div>
<div>moments of the magnetic atoms?</div>
<div>&nbsp;</div>
<div>Thanks,</div>
<div>Chiung-Yuan</div>

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