[Spglib-users] Case where symmetry displacements are wrong.

[Keith R. <kr...@gm...>]

My tests of spglib have turned up a case where it seems that spglib is 
returning an incorrect result.  In the attached case, spglib returns an 
identical set of symmetry rotations to the old K290 symmetry analysis.
However the non-symmorphic translations are different and, I believe 
wrong for all of the 3-fold axes in the attached example.  In particular 
any attempt to construct an atom-atom map for the 3-fold and -3 
operations fails.

Do you agree that this is a bug in spglib?

Keith