UT theoretical chemistry code forum

If I want to publish the bader data in a paper, how should I give the references for bader analysis?

And for example:
# X Y Z VORONOI BADER % MIN DIST
------------------------------------------------------------------------------------------
1 2.0819 1.5695 7.4100 7.6019 7.1272 1.5873 1.0278
2 4.9318 2.3012 7.9728 7.1677 6.3946 1.4242 0.9648

What's the unit for BADER values?

Thanks

The units of the Bader charge is electrons. Remember to subtract the valance charge if you want to report the net charge on the atom (or ion).

The publication which describes the algorithm used in this code is: G. Henkelman, A. Arnaldsson, and H. Jónsson, A fast and robust algorithm for Bader decomposition of charge density, Comput. Mater. Sci. 36 254-360 (2006).