ezpzbz / aiida-catmat

Collection of AiiDA WorkChains Developed in CATMAT project
MIT License
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Output results of initial static to the output parameters #3

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

Currently, if the initial static calculation does not converge, we do not have the data in VaspMultiStageWorkChain output_parameters. It's better to have there for easier access once the work chain is finished. Currently, we need to query for that particular VaspWorkchain. The convergence status keys mentioned in #2 can be located in each particular places associated with the coming misc dictionary.

ezpzbz commented 4 years ago

Done!