ReSe2.cif - relaxed - phonon dispersion
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.21 THz
ReSe2.cif - relaxed
.cif fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -82.4169 eV; energy change = -0.0594 eV; symmetry: P-1 → P-1
1mo
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