[CP2K-user] [CP2K:19230] non-resonant Raman spectra in periodic system

[oandr...@gmail.com]

Dear CP2K group, 

I was wondering if given the new release of cp2k 23.1, Is it possible to 
compute the Raman spectra on a periodic system (using a supercell, like a 
nanoribon or a 2D material) via VIBRATIONAL_ANALYSIS calculation and using 
the linear response in FORCE_EVAL/PROPERTIES/LINRES/POLAR ?

I was wondering if you could comment on the limitations (if possible) it 
might present

best

Andres Ortega-Guerrero

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