hey everyone,
i am currently working on my master thesis and in the course of that, i have to do some raman spectrum calculations.
so far, the calculations all went well, using the raman script with $scfinstab polly.
the only thing i am not able to do is to find the intensities for the raman spectrum or, as those are variing with the experiment, the raman activities.
using aoforce2g98 works perfectly well with IR intensities, but all the raman activities equal zero.
i would greatly appreciate any help!
greetings from austria,
stefan