<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:12pt"><div>Dear members,<br><br>I am running a relax
calculation on trimers of the type M-N-M where M describes a magnetic
atom. I am running them as spin-polarized calculations with Hubbard-U.
The shape of the unit cell is cubic. I want to find out the equilibrium
bond length (M-N). Since the cluster is symmetric, I would expect that
both M-N-M bond lengths would be same. But, it turns out that two bond
lengths are different. Why is this happening? Any help would be much
appreciated.<br>
<br>Thanks for any help,<br><br>Izaak Williamson<br>Research Assistant<br>Physics Department<br>Boise State University</div>
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