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Li3InI6 (Cm) - phonon dispersion · Files on Ouro

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Li3InI6 (Cm) - 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 = -0.02 THz

1 input asset

Li3InI6 (best of 5 space groups, final: Cm #8, optimized: 400 steps, cell relaxed, symmetry refined)
20h
.cif

Calculate phonon dispersion and band structure