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[Docs]The STRU format provided in the documentation is incorrect when using non-collinear constrained magnetic calculations. #7614

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@Chemyy0918

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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

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

  • Yes, I have read the online manual.

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