[Pw_forum] relaxation and symmetry

[Detlef Schmicker]

Hallo Javad,

my experience is, that the symmetry is not changed, during relaxation if
you do not set nosym to .true. .
I used it with vc-relax and it behaved this way.

Detlef



Am Montag, den 26.02.2007, 11:23 +0100 schrieb Javad hashemifar:
> Dear Espresso users
> 
> Does the relaxation procedure obeys the symmetry of the initial atomic
> configuration?
> I mean during the relaxation process, forces acting on atoms could
> move them in such a way that change the symmetry of the system.
> 
> Javad Hashemifar