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Published 20 hours ago • verified publisher icon aiidateam

add `should_run_scf` for PwBandsWorkChain

Open superstar54 opened this issue 11 months ago • 0 comments

This PR sets the scf step as an option in the PwBandsWorkChain.

Use case:

  • In aiidalab-qe, we want to run one scf in the main workflow, then pass the remote_folder to plugins, such as bands and pdos. This requires that the scf calculation is an option in the PwBandsWorkChain. #https://github.com/aiidalab/aiidalab-qe/pull/631

superstar54 avatar Mar 19 '24 15:03 superstar54