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Polarization vectors
The polarization vectors of the triply degenerate ferroelectric soft modes at q = 0 calculated based on the harmonic approximation and the self-consistent phonon theory at 300 K. The modes Q1, Q2, and Q3 correspond to the displacements in the [100], [010], and [001] directions, respectively. The fractional coordinates of each atom are as follows: Sr (0, 0, 0), Ti (1/2, 1/2, 1/2), O1 (0, 1/2, 1/2), O2 (1/2, 0, 1/2), O3 (1/2, 1/2, 0).
