[Pw_forum] Different number of symmetry operations

[Stefano de Gironcoli]

in supercells symmetries with fractionary translations are disabled
if your original cell has FT that could be the reason

stefano

On 12/21/2012 01:25 PM, Feng Tian wrote:
> Dear QE users and developers,
>                                           I run two calculations of two
> crystal structures with D6h symmetry, but they gave different number of
> symmetry operations. Two crystal structures are unit cell (1*1*1) structure
> and a 4*4*4 supercell expanded by unit cell. The  unit cell and supercell
> give 24 and 12 symmetry operations, respectively.  Does anyone know why?
> Thanks a lot.
>
>
>
> Feng
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121221/6097ceae/attachment.html>