[DFTB-Plus-User] Raman Intensities

Amritpal ghumman amritpalghumman at gmail.com
Thu Mar 2 16:20:52 CET 2023


Hi..

I have performed second derivatives to calculate hessian, born and
bornderiv. Then I performed modes calculations using hessian, born and
bornderiv.

In output of the modes calculation, there are Vibration frequencies and
corresponding polarizability changes. How can we get raman intensities from
these polrizability changes?

With Best Regards
Amritpal Singh
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