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hirtatsu / beta-Sn-DFT-PFP-MEAM

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Companion data and code for Tatsumi et al., "Comparison of Elastic Constants and Surface Energies of β-Sn from Density Functional Theory, Universal Machine Learning Potential, and Empirical Potentials" (Modell. Simul. Mater. Sci. Eng., 2026) — OpenMX DFT, PFP v8/Matlantis, and MEAM/LAMMPS inputs, outputs, and analysis scripts.

dft lammps materials-science tin solder openmx pfp machine-learning-potential matlantis elastic-constants meam wulff-construction beta-sn surface-energy
  • Updated Aug 17, 2026
  • Python

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