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QuantumATK => General Questions and Answers => Topic started by: meena on April 20, 2017, 11:33

Title: Band structure
Post by: meena on April 20, 2017, 11:33
How to plot the band structure of CNT??
Title: Re: Band structure
Post by: Petr Khomyakov 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.