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candidate_001(1).cif - phonon dispersion · Files on Ouro

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candidate_001(1).cif - phonon dispersion

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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 = -0.01 THz

1 input asset

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.cif

Calculate phonon dispersion and band structure