[QE-users] reflection-absorption IR spectra

Michal Krompiec michal.krompiec at gmail.com
Thu Jan 7 22:58:29 CET 2021


Hello,

In Reflection-Absorption IR (IR at grazing incidence), only modes that
induce a nonzero dipole in the direction normal to the surface contribute
to the spectrum. Is it possible to simulate this in QE?
In other words: how do I calculate the IR spectrum of flexural phonons of a
2D system?

Best regards,

Michal Krompiec, Merck KGaA
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