Dear Ben,
use GeometryConstraints together with constr.f file where you can code your symmetry constraints. You have to recompile the code then you have automatically a symmetry constrained relaxation. Lev Kantorovich's package can be very useful to construct the relevant constr.f file that can be freely downloaded from the web.
Yours, Adam Gali ---------------------------------------------------------------------------- Dr. Gali Ádám Adam Gali, PhD Budapesti Műszaki és Department of Atomic Physics, Gazdaságtudományi Egyetem, Budapest University of Technology Atomfizika Tanszék and Economics Budapest, Budafoki út 8., 1111 Budafoki út 8., H-1111, Budapest, Hungary telefon: 463-1580 telephone: [36]-(1)-463-1580 fax: 463-4357 fax: [36]-(1)-463-4357 e-mail: ag...@eik.bme.hu http://www.fat.bme.hu/old/homepages/galia/index.en.phtml ----------------------------------------------------------------------------