On Feb 26, 2007, at 11:23 , Javad hashemifar wrote: > Does the relaxation procedure obeys the symmetry of the initial atomic > configuration?
in principle, the relaxation should not break the initial symmetry > I mean during the relaxation process, forces acting on atoms could > move them in such a way that change the symmetry of the system. in practise, this may occasionally happen due to numerical noise Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
