[Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?

[yin li]

Dear QE community,

I am looking for a way to obtain IR spectra using finite displacement in
QE? I have used phonopy to generate the supercell and atomic displacements.
After pwscf calculation, phonopy gave me a force set file. I wonder if it
is possible to explore this file to calculate IR spectra of my crystal?

Thank you very much!

Best Regards,
Yin

-- 
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Dr. Yin Li
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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