[CP2K-user] [CP2K:20140] Re: The problem of utilizing CP2K for the calculation of Raman activity

[Marcella Iannuzzi]

Dear Rongz Ma

Without more information it is impossible to help. 
Regards
Marcella

On Monday, April 29, 2024 at 4:19:12 AM UTC+2 marong... at gmail.com wrote:

> Dear CP2K users,
> I intended to employ CP2K for the computation of Raman activity, and 
> indeed, I successfully completed the calculation. However, all the obtained 
> Raman activities were displayed as "*******". The reason behind this 
> discrepancy remains unknown to me; hence, I kindly request assistance from 
> the community.
>
> Best regards,
> Rongz Ma
>
> [image: 89ed92adf5ff8ee95945b0c384479db7.png]
>

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