[Pw_forum] Conservation of spin on oxygen adsorption

mohnish pandey mohnish.iitk at gmail.com
Tue Mar 1 07:08:13 CET 2011


Dear QE users,
                        I am doing O2 adsorption on metal clusters. I have
the question of how to conserve the spin multiplicity of O2 molecule during
adsorption. I tried searching in the forum archive but did not find it. Can
anybody please help me?
Thanks a lot.

-- 
Regards,
MOHNISH,
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Mohnish Pandey
Y6927262,5th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
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