Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.89 THz
Fe4Co3Ni2B1 (P-62m)
Fe4Co3Ni2B1 (requested SG: P622 #177, calculated SG: P-62m #189, optimized: 85 steps, cell relaxed (isotropic))
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Created by route
Calculate phonon dispersion and band structure