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🐛 workflow: Fix bugs in EpwPrepWorkChain #27

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🐛 workflow: Fix bugs in EpwPrepWorkChain #27

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@ymzhang0 ymzhang0 commented Jan 21, 2026

  • Fix typo and ambiguity in help strings.
  • Decide to use either Wannier90OptimizeWorkChain or Wannier90BandsWorkChain upon the existence of reference_bands input.
  • Fix the bug that namespace="epw_base" is out of the scope of function exposed_inputs in run_epw
  • Add aiida.mmn and aiida.bvec in stash list since they are used in EPW v6.0

@ymzhang0
Fix bugs in EpwPrepWorkChain and update protocol
1059962 
- Fix logic for selecting Wannier90 workchain class (Optimize vs Bands) based on projection type and reference bands.
- Ensure correct inputs are prepared for the selected Wannier90 workchain in `run_wannier90`.
- Explicitly pass `structure` to `EpwBaseWorkChain` inputs.
- Update exit code messages for better clarity.
- Update protocol to include `aiida.mmn` and `aiida.bvec` in `remote_symlink_list`.
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