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
Raman intensities
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alex
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Raman intensities
Last edited by alex on Wed Jul 17, 2013 1:22 pm, edited 1 time in total.
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ahyla
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Raman intensities
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.
Last edited by ahyla on Wed Jul 17, 2013 5:25 pm, edited 1 time in total.
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alex
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Raman intensities
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
Thanks
alex
Last edited by alex on Thu Jul 18, 2013 3:56 pm, edited 1 time in total.