[Pw_forum] Graphene Nanoribbon Phonon Dispersion Calculation Problem

[xirainbow]

Dear  Huang:
I think there are some points you can improve.

First, the nearest atoms between nanoribbon is only 4 anstrom. I think 10
would be better than 4.

Second, why do you set "K_POINTS"  "4 2 2"?
I think you shoud set X 1 1, and do a convergence test about X value.

Third, do a convergence test about ecutwfc. I do not think 25 is good
enough.

-- 
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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