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Dear all,

I'm looking for a way to calculate Raman intensities with the help of DFT(+X).

As far as I understand David Karh?nek's script for infra-red intensities (here: http://homepage.univie.ac.at/david.karh ... ml#Entry02
and somewhere in the forum), David went already the right way and quite far.

I'm just wondering, if somebody managed to hit bottom on this topic.

Thanks a lot!

alex

I am in the process of implementing it. If you're interested in it, shoot me an email at alexandr.fonari[no spam]gatech.edu.

Hmm, I'm searching sth. which is already working, because I need just a bunch of Raman intensities for now. Maybe more later, but I'm not sure yet.

Thanks

alex