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Author Topic: how to get the spin moment?  (Read 4157 times)

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Offline tigeryzz

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how to get the spin moment?
« on: June 3, 2009, 03:44 »
Hi, when I run a spin calculation, i can set the initial spin, but how to get the final magnetic moment?
by using the calculateElectrostaticDifferencePotential ? or other methods?
Thank you!
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Offline Nordland

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Re: how to get the spin moment?
« Reply #1 on: June 3, 2009, 07:03 »
You can do it by calculating the mulliken popupolation and do a little algebra on these numbers.
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