[Pw_forum] relaxation and symmetry

Javad hashemifar jhashemifar at gmail.com
Mon Feb 26 11:23:12 CET 2007


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
-- 
======================================
Seyed Javad  Hashemifar,    Ph.D.
[current:]
Tel:+49-203-3794743        Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
---------------------------------------------------------------------------



More information about the users mailing list