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hirtatsu/beta-Sn-DFT-PFP-MEAM

β-Sn elastic constants & surface energies — DFT/PBE, PFP (4 modes), MEAM (3 potentials). Companion to Tatsumi et al. (MSMSE 2026, in revi…

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dft

density-functional-theory

lammps

materials-science

• Python
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  on May 10

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