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Seemingly missing ()
in 744c7db:
pymatgen/src/pymatgen/electronic_structure/boltztrap.py
Lines 1457 to 1473 in bd9fba9
- and (abs(st[2] - st[0]) / st[2] <= isotropy_tolerance)
+ and (abs((st[2] - st[0]) / st[2]) <= isotropy_tolerance)
i.e.:
- abs(a) / b <= tol
+ abs(a / b) <= tol
Otherwise any vector with a negative z component would be considered isotropic along z direction.
Can you please comment on this? @computron
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