Self-consistent GW method for solids: efficient implementation*

An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of the polarizability and the self-energy which scales only linearly with respect to the system size. The total computational time scaling measurements show it to be between linear and quadratic up to 72 atoms in silicon supercells. Application to such materials as CoSbS (24 atoms), supercells of La2CuO4 (up to 56 atoms), and SmB6 (7 atoms) illustrate the potential of the approach in computational material science.