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Fig. 5. (Color online) Comparison of the predicted structures and the optimized structures in terms of (a) the total energy per atom, (b,c) lattice constants, and (d,e) bond lengths. The predicted and the optimized values were denoted by dashed and solid lines, respectively.
New Phys.: Sae Mulli 2022;72:481~486 https://doi.org/10.3938/NPSM.72.481
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