[Wien] mini with constrains

Gilles Hug gilles.hug at onera.fr
Tue Mar 22 18:28:01 CET 2005

Dear all,

Is there a way to link two parameters in mini?
Basically I would like to minimize position of atoms at position where 
both x and y may vary but are related.
In the present case atoms at 16k position in I4/mcm are located on a 
miror and give position like (xy0, -x-y0, -yx0, y-x0, etc..)
Of course I can free both x and y but then I have more free parameters 
than allowed in the space group. This may increase computational time?
I wonder also if the atom will stay on the mirror (probably yes).
Thank you for advise,

Dr. Gilles Hug
BP 72
92322 Châtillon
+33 1 46 73 45 42
gilles.hug at onera.fr

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