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Coll<strong>in</strong>ear (sp<strong>in</strong>s along z direction):<br />
H αα<br />
H ββ<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
¤εn<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
Noncoll<strong>in</strong>ear:<br />
H αα<br />
V βα<br />
xc<br />
V αβ<br />
xc<br />
H ββ<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
¤εn<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
In the absence of Sp<strong>in</strong> Orbit Interaction (SOI) the sp<strong>in</strong> directions are not l<strong>in</strong>ked to the<br />
crystall<strong>in</strong>e structure, i.e., the system is <strong>in</strong>variant under a general common rotation of<br />
all sp<strong>in</strong>s<br />
M. MARSMAN, <strong>VASP</strong> WORKSHOP, VIENNA 10-15 FEBRUARY 2003. Page 8
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