[CP2K-user] [CP2K:20736] Re: Polarizability calculation

Beliz Gökmen belizsertcan at gmail.com
Tue Oct 1 15:51:55 UTC 2024


Hi Simone,

Usually CP2K prints asterisks when the value is too large to be printed. 
Could you please attach your input and output?

Best,
Beliz

On Wednesday 25 September 2024 at 00:18:24 UTC+2 Simone Ritarossi wrote:

> Hi, I'm calculating the Raman spectrum of a system and in the output I 
> have that some values of the polarizability tensor are asterisks 
> (divergences?). What problem could there be?  
> Thank you for any help or suggestions. 
>
> Simone 
>

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