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In the later paper, the authors provide details of the calculations "To compute the density of states contributed by the interstitial electrons, we used the local density of states in regions defined for the charge maxima using grid based Bader analysis1. In the commonly used projection onto sp...

Dear all, I am trying to calculate the density of states of interstitial electrons by following the calculations performed in the paper "Gudmundsdóttir, S., Tang, W., Henkelman, G., Jónsson, H. & Skúlason, E. Local density of states analysis using bader decomposition for N2 and CO2 adsorbed...