Bug fix: wrong output bands

aiidateam / aiida-wannier90-workflows

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

http://aiida-wannier90-workflows.readthedocs.io/

Other

16 stars 17 forks source link

Bug fix: wrong output bands #46

Closed jiang-yuha0 closed 4 months ago

jiang-yuha0 commented 6 months ago

Output the band_structure from wannier90_optimal correctly: In #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.

aiida-cla-bot[bot] commented 5 months ago

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.}
_{Posted by the CLA Assistant Lite bot.}