[Wien] magnetization

[Alex]

Dear all,

I have calculated the magnetization by normal spin-polarized DFT for the
structure of my interest in which some atoms are supposed to be identical
based on symmetry and coordination number, so that one expects to get  a
fully identical magnetization for those atoms as well via DFT, am I right,
please?
What I get for three identical atoms in my system are as follow 0.463,
0.472, 0.483 (\mu_B), which have a tiny difference respect to each other in
contrast to my initial expectation, now, I was wondering if the tiny
difference is due to some artifacts of some probable integrations in
calculations so that, they are fine and I still can call them identical
atoms, OR, there is a problem in my calculations and you also expect to get
identical magnetization for them?

Thanks for your response.

Regards,
Alex
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170425/68549ca0/attachment.html>