Abstract
AbstractThe convergence of the binding energy of oxygen on Cu(100) as a function of the k‐points, energy cutoff for the inclusion of plane waves, surface model, and oxygen coverage is studied. Overall the convergence is good, with an accuracy of 0.1 eV obtained for an affordable level of treatment. Published 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
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