Fig. shows the percentage of cDFT simulations that do not converge. At a grid density of 2 Å -1 , only 0.4 % of simulations do not converge. The simulations that do not converge are not equally shared between systems; out of the 300 systems, 297 of them have convergence for all the pressures of the adsorption isotherms. Further studies of optimization computations could help increase the number of convergence cases.