Dear Siesta users,

I want to calculate band structure of ZGNR. I calculate it for 1 unitcell
ZGNR. The result is correct for 1 unit cell.
But I have problem with calculation of band structure for a supercell
(containing 3 unit cells).
Relaxation of the system has been done before band structure calculation.
I attach my code and results.
Would you please help me to calculate band structure of supercell correctly.


Maryam Jamaati

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