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Bug: ABACUS PW OCCUPIED band energies mismatch with Quantum ESPRESSO even setting `pseudo_rcut` and `pseudo_mesh`

Open kirk0830 opened this issue 1 year ago • 0 comments

Describe the bug

see issue #4695 My latest comment shows the case: https://github.com/deepmodeling/abacus-develop/issues/4695#issuecomment-2262732380

Expected behavior

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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)

  • [ ] Verify the issue is not a duplicate.
  • [ ] Describe the bug.
  • [ ] Steps to reproduce.
  • [ ] Expected behavior.
  • [ ] Error message.
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  • [ ] Additional context.
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  • [ ] 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.
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kirk0830 avatar Aug 02 '24 01:08 kirk0830