3mo

tree-gen-6-v06.cif - relaxed - phonon dispersion

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.45 THz

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.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -183.6934 eV; energy change = -888.5450 eV; symmetry: I4/mmm → P1
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