[Pw_forum] Different number of symmetry operations

Stefano de Gironcoli degironc at sissa.it
Fri Dec 21 14:14:38 CET 2012


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
>
>
>
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