[QE-users] Phonon Dispersion of graphene

Md. Jahid Hasan Sagor md.sagor at maine.edu
Sat Dec 24 10:17:28 CET 2022


Hi,

Please help if you can. I am trying to find out the dispersion relation of
graphene. I know that to find out the relation I have to use pw.x, ph.x,
q2r.x and matdyn.x. But the problem is, after applying all the packages, I
might get a phonon dispersion relation of graphene which is infinitely long
in x and y direction. However, in my model I am using a finite width of
graphene around 10nm (24 unit cell in the vertical direction). Which
command in QE can do this for me so that I can model a graphene which is
infinitely long in x direction and 10 nm in y direction?

Best Regards
Md Jahid Hasan
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