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Topic: Band structure (Read 2580 times)
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meena
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Band structure
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April 20, 2017, 11:33 »
How to plot the band structure of CNT??
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Petr Khomyakov
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Re: Band structure
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April 20, 2017, 12:22 »
If the CNT is infinite along the nanotube axis, you can do it in a regular way as described in the following tutorial
http://docs.quantumwise.com/tutorials/crystal_bandstructure/crystal_bandstructure.html
. Note that you have to set the k-route in the Band structure analysis, e.g., along the G->Z direction, provided that the CNT axis is in the z direction.
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