Dear Users, Is it possible to calculate Raman spectra (i.e. Intensity vs. Raman shift) using siesta?. Using vibra package of siesta, it is possible to get eigen values as well as corresponding eigen vectors. But, how to use the these eigen vectors to get Raman intensity that i don't know. If anybody knows this one, please help me.
Regards, Arun -- PhD Student JNCASR, Bangalore-560064 India