Author Topic: Band structure  (Read 2787 times)

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Offline meena

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Band structure
« on: April 20, 2017, 11:33 »
How to plot the band structure of CNT??

Offline Petr Khomyakov

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Re: Band structure
« Reply #1 on: 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.