A phonon dispersion plot for a relaxed structure using a 2x2x2 supercell. The red lines show multiple phonon branches across high-symmetry paths labeled Gamma, X, Y, ZR2, U2, and V2. Frequencies range up to about 9 THz, with several bands crossing and bending as they move along the path. A blue dotted line marks zero frequency, and the data indicate no imaginary modes, though the lowest branch dips slightly below zero by about 0.07 THz. This image summarizes how vibrational modes vary with wavevector for the relaxed structure.

A phonon dispersion plot for a relaxed structure using a 2x2x2 supercell. The red lines show multiple phonon branches across high-symmetry paths labeled Gamma, X, Y, ZR2, U2, and V2. Frequencies range up to about 9 THz, with several bands crossing and bending as they move along the path. A blue dotted line marks zero frequency, and the data indicate no imaginary modes, though the lowest branch dips slightly below zero by about 0.07 THz. This image summarizes how vibrational modes vary with wavevector for the relaxed structure.