aiida-vasp / parsevasp

A general parser for VASP
MIT License
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Add error message for incomplete OUTCAR #95

Closed lan496 closed 2 years ago

lan496 commented 2 years ago

Fix https://github.com/aiida-vasp/parsevasp/issues/94

When a VASP calculation crashes before starting SCF iterations, we fail to parse OUTCAR. This commit implements to report an error message in such a situation.

espenfl commented 2 years ago

@lan496 Thanks a lot for the contribution.