diff --git a/src/spinspg/group.py b/src/spinspg/group.py index 7d9d2ef..4a3e142 100644 --- a/src/spinspg/group.py +++ b/src/spinspg/group.py @@ -319,7 +319,8 @@ def purify_spin_rotation( # mirror along axis return _get_mirror_along_axis(axis) else: - raise ValueError("Given spin rotation does not normalize the spin-only group.") + # Tiny magnetic moment fluctuation may cause this case + return W elif spin_only_group.spin_only_group_type == SpinOnlyGroupType.COPLANAR: # normalizer of spin_only_group: infty/mm mirror = _get_mirror_along_axis(spin_only_group.axis)