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Bug fix: wrong output bands #46

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merged 1 commit into from
Jun 21, 2024

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jiang-yuha0
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  • Output the band_structure from wannier90_optimal correctly:
    In Avoid unnecessary errors when launching Wannier90OptimizeWorkChain #40, the bands_plot has been separated from the wannier_plot and integrated into each wannier90_optimize_iteration.
    Because wannier_plot cannot be found, the original results logic in Wannier90OptimizeWorkChain will directly output the interpolated_bands from wannier90 as the final output bands rather than from the wannier90_optimal.

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aiida-cla-bot bot commented May 27, 2024

All contributors have accepted the CLA ✅


You might need to click the "Update/Rebase branch" button to update the pull request and rerun the GitHub actions to pass the CLA check.
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- Output the `band_structure` from `wannier90_optimal`
@qiaojunfeng qiaojunfeng merged commit 8427c1d into aiidateam:main Jun 21, 2024
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@aiida-cla-bot aiida-cla-bot bot locked and limited conversation to collaborators Jun 21, 2024
@jiang-yuha0 jiang-yuha0 deleted the fix_out_band_structure branch July 3, 2024 14:54
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