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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/
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Support PseudoDojo v0.5 #25

Closed mbercx closed 10 months ago

mbercx commented 1 year ago

Fixes #24

mbercx commented 1 year ago

@qiaojunfeng this is still a draft, since I'm quite sure I messed up setting the pseudo wave function orbitals (pswfcs) and semi cores one (semicores). I'm going to have another look based on the explanation you gave me on Slack, and double check.

We should probably add a section on what these files are and how add support to the maintenance docs?

mbercx commented 10 months ago

Superseded by #34