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about <S^2> in vasp
Posted: Thu Jan 24, 2008 5:16 am
by paw
For ISPIN=2, VASP gives magnetization of the system in the end, which is <S_z>. Can VASP give out <S^2> ? I need this info for estimating spin contamination. I know Gaussian03 gives <S^2> for unrestricted calculations.
Re: about <S^2> in vasp
Posted: Wed Sep 11, 2024 1:38 pm
by support_vasp
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP