I am currently designing a toy model to calculate an interatomic potential (for an infinite repeating lattice) this toy model needs to scale and perform better than DFT simulations. But sadly I have little knowledge of DFT simulations.
I did find this paper ( https://www.nature.com/articles/nphys1370 ) but it only specifies that the calculation time scales with O(N^3) (where N is the total number of atoms taken into account, or only in the unit cell?) and sadly I can't find any real numbers or benchmarks for the calculation time.
The reason why I care about the real calculation time is that for example an algorithm which scales like O(N^2) but takes 20 seconds per 'sub calculation' is going to perform worse than a O(N^3) algorithm which takes 1 second per 'sub calculation' as long as N<20.
So my question: Does anybody know of any benchmarks of DFT simulations?