All-electron self-consistent GW approximation: Application to Si, MnO, and NiO

Sergey V. Faleev, Mark van Schilfgaarde, Takao Kotani

We present a new kind self-consistent GW approximation (scGW) based on the all-electron, full-potential LMTO method. By iterating the eigenfunctions of the GW Hamiltonian, self-con…