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aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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Allow `PDOS` workchain expose the `scf` outputs if it run the `scf` calculation. #1048

Open superstar54 opened 1 week ago

superstar54 commented 1 week ago

As pointed out by @cpignedoli , currently, if the user runs a scf calculation in the PdosWorkChain, it does not expose the outputs of the scf calculation. However, these outputs may be valuable for the user, so it would be good to expose it.