MP2 ground state calculation - Tutorial

This tutorial introduces how to calculate the ground state energy using second order Møller-Plesset perturbation theory (MP2) with VASP. Currently there are three implementations for MP2 available:

• MP2: this was the first implementation in VASP and is very efficient for small systems, i.e. systems with less than ~40 valence electrons per unit cell or unit cells smaller than ~200 ų. The system size scaling of this algorithm is N⁵.
• LTMP2: the Laplace transformed MP2 algorithm has a lower scaling (N⁴) than the previous MP2 algorithm and is therefore efficient for large systems with unit cells larger than ~200 ų and more than ~40 valence electrons.
• stochastic MP2

1. bandgap of Si in GW
2. bandstructure of Si in GW (VASP2WANNIER90)
3. bandstructure of SrVO3 in GW