inFZ needs 'proper' Rodriques--Franck vector

This commit is contained in:
Martin Diehl 2019-04-19 09:04:54 +02:00
parent b97f10b6ff
commit 1330730717
1 changed files with 1 additions and 1 deletions

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@ -976,7 +976,7 @@ class Orientation:
def reduced(self):
"""Transform orientation to fall into fundamental zone according to symmetry"""
for me in self.equivalentOrientations():
if self.lattice.symmetry.inFZ(me.rotation.asRodrigues()): break
if self.lattice.symmetry.inFZ(me.rotation.asRodrigues(vector=True)): break
return self.__class__(me.rotation,self.lattice)