Why are symmetries with fractional translations disabled in supercells? David Strubbe MIT
On Fri, Dec 21, 2012 at 8:14 AM, Stefano de Gironcoli <degironc at sissa.it>wrote: > 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 listPw_forum at > pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > 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://pwscf.org/pipermail/pw_forum/attachments/20130418/ce536427/attachment.html