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Mo3AlC2_GGA.cif 2 - phonon dispersion · Files on Ouro

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Mo3AlC2_GGA.cif 2 - phonon dispersion

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Phonon band structure with MACE-MP large (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -2.08 THz

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.cif

Calculate phonon dispersion and band structure