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❓ QUESTION: Use ProjectionData for PDOS results? #209

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mbercx opened this issue Jul 19, 2021 · 0 comments
Open

❓ QUESTION: Use ProjectionData for PDOS results? #209

mbercx opened this issue Jul 19, 2021 · 0 comments
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question Further information is requested topic/bands-dos Issues related to band structures or DOS

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@mbercx
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mbercx commented Jul 19, 2021 •
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There is already a data type called ProjectionData in aiida-core that is used as an output for e.g. the projwfc.x code of Quantum ESPRESSO:

https://github.com/aiidateam/aiida-core/blob/da179dceef71fe52856b93e756e8bde3b89e2c4e/aiida/orm/nodes/data/array/projection.py#L22

I believe this is designed to be code-agnostic, however, so maybe we can use this consistently for all codes?
@mbercx mbercx added the question Further information is requested label Jul 19, 2021
@mbercx mbercx added the topic/bands-dos Issues related to band structures or DOS label May 23, 2023
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