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
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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/
Task list for Issue attackers (only for developers)