If you do a bibliography search about the codes used in matter modeling, you will find a large list.
I played with a few of them (both free and commercial) and one of my findings is that the properties they can calculate are different, even being important properties. I am aware that they used different basis set (numerical orbitals, Slater functions, Gaussian function, Plane waves), considered all the electrons or just valence electrons, used different types of pseudopotentials, etc.
My doubt is about the different properties they can calculate.
Is this difference only related to the developers choice or there are some properties that can only be calculated following a given set-up? (for a given set-up I mean, a given type of basis-set or an specific pseudopotential type, for example)