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A choice of the appropriate number of k-points in the irreducible part of the BZ was considered based on the convergence of the total energy to 0.1 meV/atom. References 1. Suntivich, J., May, K. J., Gasteiger, H. A., Goodenough, J. B. & Shao-Horn, Y. A perovskite oxide ...
Semiconductor software provides teal-time analysis. (Product Briefing)Nelsonpublishing