Error Output of Magnetic Moment in STRU

[ieiue]

Describe the bug

When making a calculation which has "nspin=2", the result STRU from OUT.suffix has incorrect magnetic moment.

Expected behavior

Output the correct mag or output nothing?

To Reproduce

No response

Environment

ABACUS v.3.6.0

Additional Context

No response

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• [ ] Verify the issue is not a duplicate.
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• [ ] Steps to reproduce.
• [ ] Expected behavior.
• [ ] Error message.
• [ ] Environment details.
• [ ] Additional context.
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[ieiue]

4 is my initial magnetic moment. But it still stays the same in the STRU after calculation.

[WHUweiqingzhou]

@ieiue, it is the same issue with #3856

[QuantumMisaka]

@WHUweiqingzhou @mohanchen This aspect has been mentioned by myself in the last year and then till now no change has happened, I consider that we should have a mind on it.

[WHUweiqingzhou]

@ieiue and @QuantumMisaka After #4044, ABACUS will output final mag instead of initial mag in STRU_ION_D with out_mul 1.