Hello, I set my input to calculate and export the charges using Voronoi, Bader and Hirshfeld approaches.
My output has at the end two sets, one after the energy decomposition/final energy/etc. section, and then after some info about Bader/Vacuum level/LDOS info. Both sets return different charges. My questions are: - Why two sets of charges? - Which one is the "good" one? []'s, Camps
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)