Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -4.70 THz
Created by route
Calculate phonon dispersion and band structure
2H-MoS2 monolayer control — P-6m2 symmetry style - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -20.8633 eV; energy change = -0.0216 eV; symmetry: P-3m1 → P-3m1
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