Dear all,

I want to calculate the phonon dispersion of 4CNR-1-0 (structure is in Fig. 2 (b) in this article Article Designing coved graphene nanoribbons with charge carrier mob...

) and then calculate the mobility by QE.

But I got imaginary phonon frequency

The process flow is vc-relax -> relax -> scf -> ph.x.

The input and output file is provided in the attachment.

I used pseudo potential from ONCVPSP (https://github.com/pipidog/ONCVPSP/tree/master/sg15).

The energy cut off is referred to this paper (Article Exciton–exciton annihilation and biexciton stimulated emissi...

).

I would like to further study computational physics and get Ph.D in this field.

I'm appreciated to anyone that give me adivce to improve this calculation.

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