[CP2K-user] [CP2K:20659] Raman Spectroscopy Calculation approximation

Cheng pengc10 at gmail.com
Wed Sep 4 20:13:11 UTC 2024



Dear all,

Could you please guide on me whether CP2K calculates Raman spectra using 
the far from resonance approximation or the resonance approximation? 

Thank you in advance.

Best regards,
Cheng

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