[CP2K-user] [CP2K:21615] Re: Asterisks (******************) in CP2K Polarizability Tensor Calculation Output: Possible Causes and Solutions?

Beliz Gökmen belizsertcan at gmail.com
Fri Jul 4 12:14:12 UTC 2025


Hi Li Ki,
Asterisks appear in the output when the value is too large to fit into the 
specified format width. Most of the time, this indicates some underlying 
problems in the calculation. For polarizability, the ground state should be 
well converged. You can confirm this if all other values before the 
asterisks are physical. If then you still think it is a formatting issue, 
you can increase the format width in the relevant lines in 
motion/vibrational_analysis.F to increase the format width.
Best,
Beliz
On Friday, 4 July 2025 at 12:11:13 UTC+2 li ki wrote:

>  Dear all, I hope this message finds you well. While performing 
> polarizability tensor calculations using *cp2k*, I encountered an issue 
> where many asterisks (******************) appear in the output, causing 
> some data to remain undisplayed. I am unsure whether this might be related 
> to some settings during the calculation process or due to the symmetry of 
> the system, leading to certain components being either uncomputed or 
> unnecessary to display. If anyone has insights into this issue or 
> suggestions for resolving it, I would be very grateful for your guidance!  
> [image: {D5357EBE-6DB3-4c5b-B2E6-DFE76DF28DBD}.png]
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/37c54668-f90e-407f-a527-ef99d0091242n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250704/20990a35/attachment.htm>


More information about the CP2K-user mailing list