[CP2K-user] [CP2K:20054] Raman spectrum with TRAVIS for periodic systems

Dobromir A Kalchevski dobromirak at gmail.com
Fri Mar 22 09:53:48 UTC 2024


Hello,

to my understanding the combination of CP2K and TRAVIS for determination of 
Raman spectrum only works if the modeled system is not periodic, is this 
still true and are periodic calculations to be supported in the future ?

Best Regards,
Dobromir

  

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