There’s a problem in the pymatgen module that returns the list of high-symmetry k-points.
Your lattice is orthorhombic but spglib classifies it as triclinic.
To fix the problem, you need to change your /Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/pymatgen/symmetry/kpath.py
file by applying this patch:
diff --git a/pymatgen/symmetry/kpath.py b/pymatgen/symmetry/kpath.py
index b58810571..aef8c4a13 100644
--- a/pymatgen/symmetry/kpath.py
+++ b/pymatgen/symmetry/kpath.py
@@ -277,6 +277,8 @@ class KPathSetyawanCurtarolo(KPathBase):
self._kpath = self.tria()
if kalpha < 90 and kbeta < 90 and kgamma == 90:
self._kpath = self.trib()
+ # Handle orthorhombic lattice detected as triclinic
+ if np.allclose(self._rec_lattice.parameters[3:6], 90):
+ self._kpath = self.orc()
else:
warn("Unknown lattice type %s" % lattice_type)