Dear Amber Users,
I have used normal mode function in nab to calculate the Raman frequency using normal mode analysis (see the input file input.nab), i have obtained two files the first is vecs file which contain the (normal mode, frequency , coordination) and second that contain energy.
I would like to obtain the intensity of each frequency in order to plot (frequency vs. intensity) as in Raman spectrum, is there a method to obtain these intensity? or are already present in some line in the second file? is my input.nab file correct or i have missed some point in it?
Kind Regards
Rasha
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Received on Wed May 08 2013 - 09:00:02 PDT
