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Fig. 2. Convergence of the total energy of SnO2 per atom with respect to (a) the energy cutoff for the plane waves and (b) k-point grid, respectively. The reference energy is the total energy calculated by using 900 eV energy cutoff and 5 × 5 × 7 k-point grid.
New Phys.: Sae Mulli 2022;72:336~341