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3, polarization persists whether or not the supercell is chosen to be commensurate with the K3 tilt pattern of trigonal bipyramids (Ref.), incommensurate cells adopt alternative (higher-energy) cooperative tilt patterns that are still strongly polar. Note also that the K point is mapped to Γ in our supercell. This means that if the rotational mode were unstable, it would be directly visible in the Γ -point phonon spectrum
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3, polarization persists whether or not the supercell is chosen to be commensurate with the K3 tilt pattern of trigonal bipyramids (Ref.), incommensurate cells adopt alternative (higher-energy) cooperative tilt patterns that are still strongly polar. Note also that the K point is mapped to Γ in our supercell. This means that if the rotational mode were unstable, it would be directly visible in the Γ -point phonon spectrum.
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