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

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candidate_001.cif 1 - phonon dispersion 1

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Phonon band structure with Orb v3 conservative inf MPA (supercell [1, 1, 1], Δ=0.01 Å); imaginary modes detected; min freq = -41.07 THz

1 input asset

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.cif

Calculate phonon dispersion and band structure