aiidalab / aiidalab-qe

AiiDAlab App for Quantum ESPRESSO
https://aiidalab-qe.readthedocs.io/
MIT License
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Control over number of unoccupied states to computed #918

Open AndresOrtegaGuerrero opened 2 weeks ago

AndresOrtegaGuerrero commented 2 weeks ago

We need a widget to control the number of unoccupied bands to compute. This is important for calculating PDOS with molecules when they are insulating, The PDOS is only until HOMO. This should also control the bands and pdos for materials