[DFTB-Plus-User] IR spectrum simulation

Daniele Selli daniele.selli at unimib.it
Fri Jun 14 17:33:43 CEST 2019

Dear All,

I am trying to simulate the IR spectrum of a molecule (benzene as test
case). Despite the fact that the MODES module allows to print out the
frequencies (in the harmonic approx.), I cannot find any way to print
out intensities.
Is it possible to do that?

Thank you for your help,

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