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, ----------------------------------------------------------------- Mohnish Pandey Y6927262,5th Year dual degree student, Department of Chemical Engineering, IIT KANPUR, UP, INDIA ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110301/44613d6f/attachment.htm