Fig. 1. Convergence of the total energy of diamond Si 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 750 eV energy cutoff and 12×12×12
k-point grid.

New Phys.: Sae Mulli 2022;72:481~486 https://doi.org/10.3938/NPSM.72.481

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