Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
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kambiz
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#1
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by kambiz » Tue Jun 14, 2011 8:35 am
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>
Last edited by
kambiz on Tue Jun 14, 2011 8:35 am, edited 1 time in total.
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forsdan
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#2
Post
by forsdan » Sat Jun 18, 2011 12:07 pm
Yes.
Last edited by
forsdan on Sat Jun 18, 2011 12:07 pm, edited 1 time in total.