Jul 31

Fe2B (Cmcm) - phonon dispersion

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Calculate phonon dispersion and band structure

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Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = 0.00 THz

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Created by route

Calculate phonon dispersion and band structure

1

ActionsTools that work with this file