aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
Other
55 stars 82 forks source link

PwBandsWorkChain is not compatible with HubbardStructureData #999

Closed AndresOrtegaGuerrero closed 9 months ago

AndresOrtegaGuerrero commented 11 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