The attached protocol calcualtes Bader atomic basins  from a first principals topological  analysis of the electron density.

DMol3 is used to calculate the elctron density on a grid - see sticky note in  protocol to see additional configuration requirements on PipelinePilot  server

The Bader analysis is performed using code developed by the Henkelman group  at University of Texas. This code is available for free download from here. You  must set up the path to your installation of this code on the Implementation tab  of the protocol.

What you end up with is a partitioning of the full electron density into atomic basins, by default the basins are individually coloured, but it's not too much more work to colour by for example electrostatic potential.

The protocol is only going to work with DS3.0/PP8.0CU2

Noj