Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Created by route
Calculate phonon dispersion and band structure
TCTP-TCSP p1/3 k4 abc1d5 scaffold — Mo6B4Mn4 converged boride variant - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -131.2826 eV; energy change = -0.0108 eV; symmetry: P2/m → P2/m
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