[CP2K-user] [CP2K:21319] Re: Raman spectrum with TRAVIS for periodic systems

[alberto santonocito]

Hi Dobromir,

this paper could be interesting for you: 
https://doi.org/10.1021/acs.jpcb.1c03786

Best Regards

Alberto

On Friday, March 22, 2024 at 10:53:48 AM UTC+1 Dobromir A Kalchevski wrote:

> 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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