[Wien] mini with constrains

[Peter Blaha]

> In my case it is two coordinates (x and y) of the same atom which are linked
> (atom on a mirror).
> Would it be it the same?

Yes.

As I already explained, there will be only ONE force component and thus 
the x,y forces will always be symmetry related and of course with such 
forces also the coordinates will stay related.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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