[CP2K-user] [CP2K:17801] Raman and IR spectra using DFTB in CP2K for periodic systems

[Ariadni Boziki]

Dear all,

I would like to calculate the Raman activities / IR intensities and in turn 
the Raman-IR spectra of several periodic systems with DFTB. I was wondering 
if CP2K has such an implementation and if not if it is at least possible to 
get the cartesian polarization and polarizability tensor out from a DFTB 
calculation for a periodic system in CP2K. 

Thank you in advance.

Sincerely yours,

Ariadni 

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