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
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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: [email protected]
http://www.fat.bme.hu/old/homepages/galia/index.en.phtml
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