🐛 workflow: Fix bugs in EpwPrepWorkChain#27
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ymzhang0 wants to merge 1 commit intoaiidaplugins:mainfrom
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🐛 workflow: Fix bugs in EpwPrepWorkChain#27ymzhang0 wants to merge 1 commit intoaiidaplugins:mainfrom
workflow: Fix bugs in EpwPrepWorkChain#27ymzhang0 wants to merge 1 commit intoaiidaplugins:mainfrom
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ymzhang0
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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
- 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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