How calculate spin-orbit coupling parameter ab-initio?

Total energy, geometry optimization, DFT+U, spin....

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CarmineAutieri
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Joined: Wed Feb 24, 2010 11:36 am
Location: Uppsala University

How calculate spin-orbit coupling parameter ab-initio?

Post by CarmineAutieri » Sat Oct 27, 2012 1:16 pm

Hello everybody,

can somebody suggest my how can I extract spin-orbit coupling parameter by first principles??
Can somebody suggest me strategy or technique already developed in ABNIT?

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Carmine
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