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Author Topic: k points setting for nanotube Blochstate  (Read 2872 times)

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Offline Jenny

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k points setting for nanotube Blochstate
« on: January 29, 2016, 20:22 »
Hi, all.

I want to calculate the Blochstate for nanotube at G and Z?
So the k points setting should be (0,0,0) for G and (0,0,0.5) for Z?
If not, what should the k points be?

Thank you very much.

Jenny
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Offline zh

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Re: k points setting for nanotube Blochstate
« Reply #1 on: January 30, 2016, 00:52 »
If the tube axis is set to along the z direction, you can do the setting as you mentioned.
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