Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.15 THz
Fe6BiS (Pmmm) - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -55.8778 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm
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/3d/stable-fast-3d
Created by route
Calculate phonon dispersion and band structure