Is the calculation of the average of S^2 already built in VASP?
Yeah, I know this is not an easy task since it requires an approximation to the one particle hole function, but before trying to do it myself I just wanted to know if it is already done.
Calculation of S^2...
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jlrch
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Calculation of S^2...
Last edited by jlrch on Wed Oct 12, 2005 10:05 am, edited 1 time in total.