When perform a calculation with mixing_restart, SCF's drho will jump to a quite large value after restart. This will result in SCF stop due to scf_os_stop.
Expected behavior
Fix it.
To Reproduce
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Environment
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Additional Context
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Task list for Issue attackers (only for developers)
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Describe the bug
When perform a calculation with
mixing_restart, SCF'sdrhowill jump to a quite large value after restart. This will result in SCF stop due toscf_os_stop.Expected behavior
Fix it.
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)