2mo

TiO2.cif - relaxed - phonon dispersion

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.58 THz

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.cif file
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -107.6664 eV; energy change = -0.0401 eV; symmetry: I4_1/amd → I4_1/amd
2mo

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