aiidalab / aiidalab-qe

AiiDAlab App for Quantum ESPRESSO
https://aiidalab-qe.readthedocs.io/
MIT License
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HubbardStructureData arent reachable in the AiiDA database widget #716

Closed AndresOrtegaGuerrero closed 2 months ago

AndresOrtegaGuerrero commented 2 months ago

Since DFT+U is now available in the QeApp, It is important to modify the logic of the AiiDAlab database widget to let the user find HubbardStructureData , for example if an optimization (or other plugin) generates HubbardStructureData.

We have to modify the logic but also double check that a user can use a HubbardStructureData, and being able to run other calculations with different the same structure with different Hubbard parameters or without them