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Doing nscf overwrite ABACUS-CHARGE-DENSITY.restart file #6405

@Lonya0

Description

@Lonya0

Describe the bug

ABACUS v3.9.0. When performing nscf, it actually do one iteration scf, and overwriting the ABACUS-CHARGE-DENSITY.restart file, make it unable to do nscf twice without backup it. Eg. I have ABACUS-CHARGE-DENSITY.restart file which is 71.5MB before nscf but 73.2MB after nscf, since nscf cauculation should not overwrite the restart file.

Expected behavior

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To Reproduce

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Environment

ABACUS v3.9.0 from release 2024.12.27. cpu: AMD EPYC 7452 32-Core Processor

Additional Context

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