Implement band structure calculation and bands dumping

mfherbst / AiidaDFTK.jl

Julia-side implementation of the Aiida plugin of DFTK

https://mfherbst.github.io/AiidaDFTK.jl/

MIT License

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Implement band structure calculation and bands dumping #9

Open mfherbst opened 6 months ago

mfherbst commented 6 months ago

On the DFTK.jl side it is now possible to run band structure calculations and dump the results in jld2 and json files. We should make this available in here.

WuyihanVictor commented 2 months ago

see pull request #12