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A question about relativistic effect

Posted: Sun Nov 19, 2006 2:05 pm
by xiaomatao
I want to calculate the heat of formation, lattice constant, and elastic constants about Al-Sm binary system.
My question is if I do not take spin orbit coupling into account , the results of the heat of formation and so on are will wrong?

Could you tell me, how to do it?

A question about relativistic effect

Posted: Mon Nov 27, 2006 9:29 am
by admin
please make test calculations on how large the contributions of relativity are in order to check whether you have to include them.