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.

       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,

telefon: 463-1580                        telephone: [36]-(1)-463-1580
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