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- The values presented here are slightly different from those reported by us elsewhere [20, 26, 30] due to the different convergence reached in the calculation (1997)
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- The eigendisplacement vector η was normalized such that ⟨η|M|η⟩ = 1, where M is such that M = M κδκ, κ′ and M κ is the mass of atom κ in atomic mass units.
- The length of the shortest unstable chain is slightly different from that reported for KNbO3. Changes in material properties could explain this difference although part of it could be due to the different k-point and q-point convergence achieved in Ref. [16]: as observed in Figure 1, the use of a finer mesh of q-points could still slightly decrease the size of the zone of instability of BaTiO3.