Figure 5
The process of converting a supercell into its subspace representation: (a) the supercell, (b) partitioning of the supercell into the basic cell, (c) translation of all of the basic cells to overlap with the first basic cell, (d) calculation of the average positions from the translated positions of related elements, (e) using the average position in each basic cell to determine x4, (f) sorting the basic cells by fractional x4, (g) determining horizontal displacements from the average as a function along x4 and (h) determining vertical displacements from the average as a function of x4. |