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Description
The code below relies on the PwBaseWorkChain input validation to catch that either kpoints or kpoint_distance needs to be set:
aiida-wannier90-workflows/aiida_wannier90_workflows/workflows/wannier.py
Lines 361 to 370 in 18ad0e0
| try: | |
| inputs.kpoints | |
| except AttributeError: | |
| # then kpoints_distance must exists, since this is ensured by inputs check of this workchain | |
| from aiida_quantumespresso.workflows.functions.create_kpoints_from_distance import create_kpoints_from_distance | |
| force_parity = inputs.get('kpoints_force_parity', orm.Bool(False)) | |
| kmesh = create_kpoints_from_distance( | |
| self.ctx.current_structure, inputs.kpoints_distance, | |
| force_parity | |
| ) |
However (maybe since a recent release?) aiida-quantumespresso doesn't do that, instead the k-points are checked after the workchain has started, and an error code is returned if they are invalid.
This means that this workchain will except when both kpoints and kpoint_distance or not set, instead of giving a "well-behaved" error.
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