The setup of cDFT provides several degrees of freedom (including, for example, the force field for the external potential). Since the goal of this research paper is to show that cDFT calculations can reproduce GCMC predictions, the choice of these parameters is partially given by the parameters used in GCMC. Therefore, in the next section, we present the GCMC data that is used as a benchmark and then define the choice of the degrees of freedom for cDFT.