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

oandr...@gmail.com oandresg15 at gmail.com
Thu Sep 7 14:13:26 UTC 2023

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 

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


Andres Ortega-Guerrero

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