3mo

TiSeS (P1) 1 - relaxed - phonon dispersion

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz

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TiSeS (P1) 1 - relaxed
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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.0947 eV; energy change = -0.0457 eV; symmetry: P3m1 → P3m1
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