Re: [Spglib-users] Spglib is not detecting the correct symmetry from POSCAR file

[Atsushi T. <atz...@gm...>]

Hi,

You can loosen the symmetry search tolerance (e.g. symprec=1e-3).

Togo

On Wed, Dec 9, 2020 at 8:31 PM Arijit Sinha <ari...@gm...> wrote:
>
> Dear Users and Experts,
> I am new in spglib but my material which has a symmetry of Cmcm is not getting captured correctly by spglib in python it is jumbling up the lattice vectors order given in poscar (but FINDSYM showing the correct symmetry) below I am attaching the code as well as the files please tell me if it is my mistake or something else.
> --
> Thanking you,
>
> Arijit Sinha
> Junior Research Fellow
> JNCASR (Theoretical Sciences Unit),
> Jakkur, Bangalore(India).
>
>
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-- 
Atsushi Togo