[Docs]The STRU format provided in the documentation is incorrect when using non-collinear constrained magnetic calculations.

[chemyy]

Details

I performed non-collinear constrained magnetic calculations on the MnBr3 system with v3.11.0-beta.5. Following the documentation requirements, I wrote the three-component mag, lambda, and sc fields in the specified positions of the STRU file, but an error was thrown out that there is " a mismatch in atom number for atom:Mn"
The first figure is my STRU file and the second is the part relating sc_mag in online manual

Have you read the online manual http://abacus.deepmodeling.com/en/latest/

• Yes, I have read the online manual.

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• Investigate the issue and determine the root cause.
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• Test the updated documentation to ensure it is clear and accurate.
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[mohanchen]

Thanks for the report! Could you upload your files so we can reproduce your issues?

[chemyy]

Okay, here is the compressed archive containing all the input files. I have not modified the contents of the STRU file.

MnBr_3.tar.gz