Comparison of the DFT and DFTB energetic orderings for three different sets of Slater-Koster integrals. (a): Matsci Slater-Koster integrals. (b): Trans3d Slater-Koster integrals. (c): Tiorg Slater-Koster integrals. The positions of all isomers on the x-axis are consistent in all three panels. The energy level of the global minimum according to DFT is given by the horizontal blue lines. The relative energetic ordering from the DFT calculations is given by their order from right to left, and the DFTB ordering is given from top to bottom.