This trend is also observable by comparing 3D isosurfaces of the density before and after SCF optimization (Figure ). While the changes in this case are not dramatic, altering the box size and number of electrons can produce more pronounced energy and density differences. Moreover, the ability to modify both physical parameters of the system and convergence setting, i.e. linear density mixing and energy threshold, exists through the interface. These capabilities, we believe, promote student interest and engagement.