aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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PwBandsWorkChain is not compatible with HubbardStructureData #999

Closed AndresOrtegaGuerrero closed 4 months ago

AndresOrtegaGuerrero commented 6 months ago

The PwBandsWorkChain doensnt support the hubbard information, this occurs because the information is lost when running seekpath.

HubbardSructureData doesnt support periodicity different than True,True,True