Is it possible with vasp somehow to estimate Lande' g-factor of the simplest molecules ? Apparently one should do calculations with the spin-orbit coupling. Although very small for molecules it gives considerable contribution to the g-factor.
Thanks
Igor.
Lande' g-factor
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Lande' g-factor
Last edited by igor on Thu May 24, 2007 7:31 am, edited 1 time in total.