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how to get the spin moment?
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Topic: how to get the spin moment? (Read 4162 times)
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tigeryzz
Heavy QuantumATK user
Posts: 34
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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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Nordland
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 812
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Re: how to get the spin moment?
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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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how to get the spin moment?