Critic: a new program for the topological analysis of solid-state electron densities Original Research Article

In this paper we introduce critic, a new program for the topological analysis of the electron densities of crystalline solids. Two different versions of the code are provided, one adapted to the LAPW (Linear Augmented Plane Wave) density calculated by the WIEN2k package and the other to the ab initio Perturbed Ion (aiPI) density calculated with the pi7 code. Using the converged ground state densities, critic can locate their critical points, determine atomic basins and integrate properties within them, and generate several graphical representations which include topological atomic basins and primary bundles, contour maps of ρ and image, vector maps of image, chemical graphs, etc.