mfherbst / AiidaDFTK.jl

Julia-side implementation of the Aiida plugin of DFTK
https://mfherbst.github.io/AiidaDFTK.jl/
MIT License
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Add in interpolation feature for kwargs parsing #5

Closed mfherbst closed 10 months ago

mfherbst commented 10 months ago

CC @WuyihanVictor

The way to use this is to add to the scf "$kwargs":

            "nbandsalg": {
                 "$symbol": "AdaptiveBands",
                 "$args": ["$model"],
                 "$kwargs": {
                     "n_bands_converge": 8
                 }
            },