Electronic structure of representative band-gap materials by all-electron quasiparticle self-consistent GW calculations

In this work, we report results of the quasiparticle self-consistent GW method within the framework of the linearized augmented plane-wave method. The impact of self-consistency on the electronic structure is investigated with the examples of nine semiconductors and insulators, namely, Ar, Si, SiC, C, BN, LiF, MgO, CaO, and GaAs. Possible reasons for discrepancies between different studies and implementations are discussed. For LiF, MgO, and CaO, we assess the charge-density redistribution upon self-consistency. For a representative set of materials, we investigate and confirm the absence of (any) starting-point dependence. The off-diagonal terms in the self-energy matrix are found to considerably impact the electronic structure. For better reproducibility and quality assessment, we describe the implementation of QSGW in the all-electron full-potential code exciting.