Fig. 4
From: An automatically curated first-principles database of ferroelectrics
A visual demonstration of the same branch polarization algorithm demonstrated in one-dimension (rather than three-dimensions) using BaTiO3. The values for the polarization for each interpolation are those circled in red. In the first panel, we adjust the nonpolar polarization to be on the branch closest to zero. In the second panel, we move the first interpolated polarization to be on the branch closest to the adjusted nonpolar polarization. In the third panel, we adjust the second interpolated polarization to be on the branch closest to the first interpolation polarization. If the algorithm finishes successfully, all the adjusted polarizations will be on the same branch.
