[QE-users] graphene nanoribbon device with junction

[Liza, NishatTasnim]

Hello

I want to run a scf calculation for a graphene nanoribbon device consisting 4zgnr-2zgnr-4zgnr as shown in figure 1 of the paper in link bellow. I want the two leads on left and right to be infinite. How do I set this periodicity in quantum espresso input script? can you provide me any sample script for nanoribbon device?

https://iopscience.iop.org/article/10.1088/0953-8984/22/37/372202

[cid:758e688f-a8f4-4d76-b93d-2489d373c6d7]
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