aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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`EpwCalculation`: Allow for restarts from previous `epw.x` runs #917

Open mbercx opened 1 year ago

mbercx commented 1 year ago

Currently the EpwCalculation expects both the parent_folder_nscf and parent_folder_ph inputs to start from. However, an epw.x calculation can also be restarted from a previous one, and this is an often occurring use case in typical EPW-based workflows.