Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -7.64 THz
Fe8Bi2N (P-3m1) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7223 eV; energy change = -7.8651 eV; symmetry: P-3m1 → P-3m1
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Created by route
Calculate phonon dispersion and band structure