Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Fe14Bi2S (P31m) - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -125.4837 eV; energy change = -0.0003 eV; symmetry: P31m → P31m
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/3d/stable-fast-3d
Created by route
Calculate phonon dispersion and band structure