[Spglib-users] Potential bug

[Norbert J. <trz...@gm...>]

Hello,

I am currently checking possibilities of this library, which seems to be
very mighty tool.
During my symmetry check tests I think I found a bug with #227 space group
symmetry.
When I give input like this (which should be #227):
lattice:
0 5 5
5 0 5
5 5 0
atom positions (all of them are the same type):
0 0 0
0.5 0.5 0.5
0.25 0.25 0.25
0.75 0.25 0.75

I am getting as a result #74. I was using function "spg_get_international".
If there is a mistake in my input please let me know, otherwise please
inform me when the bug will be gone.

Best Regards,
Norbert