[CP2K-user] [CP2K:19287] Raman spectra from AIMD (using LS_SCF)

Iryna yevl.iryna at gmail.com
Tue Oct 3 20:44:54 UTC 2023



Hello everyone,

do you know if one can compute Raman spectra from AIMD while using LS_SCF 
(instead of regular SCF with OT)? According to the CP2K manual the 
&PERIODIC_EFIELD keyword can't be used in this case. 

I would appreciate any help!

Best regards,

Iryna

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