Figure 5: Differential charge density of In0.125Co4Sb12 projected on the (111) plane.
From: Multi-localization transport behaviour in bulk thermoelectric materials

The 2 × 2 × 2 supercells were calculated using the projector-augmented wave method implemented in CASTEP package based on the density functional theory. The differential charge density. delta p=pInCo32Sb96−pCo32Sb96−pIn