Calculation of S^2...
Posted: Wed Oct 12, 2005 10:05 am
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.
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.