SCF iterations do not stop after achieving thresholds

[OutisLi]

Describe the bug

I set scf_thr to be 5e-7 and scf_ene_thr to be 1e-6, but the scf does not stop after achieving both these criterial.

Expected behavior

Stop after meets the thresholds setting.

To Reproduce

I uploaded my work dir below, along with the output ( redirected to abacus.log)

Environment

LTS

Additional Context

0K_relaxed_vacuum.tar.gz

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[mohanchen]

Thanks for pointing out! I will take a look at the problem.