[CP2K-user] [CP2K:20146] Re: The problem of utilizing CP2K for the calculation of Raman activity

[rongz ma]

Dear Marcella,
I'm sorry. Now I have uploaded my input file for easy troubleshooting.
Thank you for your help!
Regards
Rongz Ma

在2024年4月29日星期一 UTC+8 15:55:02<Marcella Iannuzzi> 写道：

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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