[QE-users] DFPT of 2D polar materials

[ygxu17 at fudan.edu.cn]

Dear QE users,

I am studying on the phonon spectrum of a semiconductor surface which exhibits strong polarity. For polar materials, we can apply a dipole correction via setting the 'tefield' and 'dipfield' options in the scf calculation. However, I notice that, the option 'assume_isolated=2D' is needed to calclate the phonon spectrum for 2D materials. It functions via truncation of the Coulomb interaction in the z direction. I don't know  whether the dipole correction should also be applied in this case. How should I set these options when calclating the phonon spectrum for 2D polar materials?
Thanks a lot.

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Best regards,
Yonggang Xu
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