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RT-TDDFT restart error

Open 1041176461 opened this issue 7 months ago • 6 comments

Describe the bug

When running RT-TDDFT with md_restart 1 and init_wfc file for restarting a job, a warning is reported image However, there are wfc files with different names under OUT* directory: image

Expected behavior

No response

To Reproduce

No response

Environment

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Additional Context

No response

Task list for Issue attackers (only for developers)

  • [ ] Verify the issue is not a duplicate.
  • [ ] Describe the bug.
  • [ ] Steps to reproduce.
  • [ ] Expected behavior.
  • [ ] Error message.
  • [ ] Environment details.
  • [ ] Additional context.
  • [ ] Assign a priority level (low, medium, high, urgent).
  • [ ] Assign the issue to a team member.
  • [ ] Label the issue with relevant tags.
  • [ ] Identify possible related issues.
  • [ ] Create a unit test or automated test to reproduce the bug (if applicable).
  • [ ] Fix the bug.
  • [ ] Test the fix.
  • [ ] Update documentation (if necessary).
  • [ ] Close the issue and inform the reporter (if applicable).

1041176461 avatar Jul 19 '24 02:07 1041176461