[CP2K-user] Static Raman Frequencies and Intensities

Alfred Worrad wor... at udel.edu
Sat May 15 12:42:59 UTC 2021

Dear all,

I am new to CP2K and I was wondering if there is a way to calculate static 
Raman frequencies and intensities. I have seen a lot of 
resources/documentation that mention the use of AIMD, but I am not ready to 
jump to any molecular dynamics yet. I have seen that you can get static IR 
int/freq, but as far as Raman I only see the DO_RAMAN tag which gives the 
polarizability tensor. If the answer lies deeper in the documentation can 
someone please point me in a direction.

Thank you in advance for your time,

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