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MAGMOMs

Posted: Tue Jun 14, 2011 8:35 am
by kambiz
Hi dear all,

I tried at simulate the adsorption of atom O on a surface using spin polarization DFT+U.

i used two different initial MAGMOMs and the final structures were totally different. It is possible?

Thanks
<span class='smallblacktext'>[ Edited ]</span>

MAGMOMs

Posted: Sat Jun 18, 2011 12:07 pm
by forsdan
Yes.