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Author Topic: spin filter in carbon atomic chain  (Read 2967 times)

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Offline aks

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spin filter in carbon atomic chain
« on: April 14, 2012, 13:04 »
 is it required to include the spin for geometry optimization for spin filter in carbon atomic chain
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Offline Anders Blom

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Re: spin filter in carbon atomic chain
« Reply #1 on: April 14, 2012, 16:50 »
The spin probably has a very small effect on the geometry, but if the specific effect you are looking for is spin-related, then it's a good idea to include it, for consistency.
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