[Pw_forum] Different number of symmetry operations

Feng Tian tianfeng at umich.edu
Fri Dec 21 13:25:28 CET 2012


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121221/d8e0c4e4/attachment.html>


More information about the users mailing list