[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]
>
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