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Added catch for when spglib symmetry check fails
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elinscott committed Oct 9, 2024
1 parent ef6c80d commit 17a4ce8
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/koopmans/workflows/_workflow.py
Original file line number Diff line number Diff line change
Expand Up @@ -569,7 +569,7 @@ def _run_sanity_checks(self):

# Check symmetry of the system
dataset = symmetrize.check_symmetry(self.atoms, 1e-6, verbose=False)
if dataset['number'] not in range(195, 231):
if dataset is None or dataset['number'] not in range(195, 231):
utils.warn('This system is not cubic and will therefore not have a uniform dielectric tensor. However, '
'the image-correction schemes that are currently implemented assume a uniform dielectric. '
'Proceed with caution')
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