[Wien] about calculating the magnetic moment

Sun Yiyang scip0105 at nus.edu.sg
Tue Jul 13 03:22:02 CEST 2004


Dear WIEN users,
 
I have no experience using WIEN2k. I wonder how the magnetic moment of an atom is calculated in WIEN2k. Is it just the difference between the spinup and spindown densities within the MT sphere? If so, how to handle the MT radius? As I know, the MT radii in LAPW calculations are usually adjustable in order to achieve a compromise between the accuracy and the efficiency.
 
Yours,
Yiyang
 
 




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