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deepmodeling / DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
GNU Lesser General Public License v3.0
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fix error when using e3 module to plot band structure #147

Closed floatingCatty closed 7 months ago

floatingCatty commented 7 months ago

Describe the bug

The bandstructure plotting function, which uses hr2hk transform, would raise error in e3 module since its data structure usually does not contains soc-related keys. This need to be fixed

Expected behavior

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To Reproduce

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Environment

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Additional Context

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floatingCatty commented 7 months ago

152