Computational study demonstrates accurate quasiparticle bandgaps on coarse grids using projector augmented waves, suggesting enhanced efficiency for large-scale electronic structure calculations.
We introduce stochastic GW with the orthogonalized projector augmented-wave method. This implementation enables accurate quasiparticle bandgaps on significantly coarser real-space grids than norm-conserving pseudopotential stochastic GW. The orthogonalized projector augmented-wave representation preserves the formal all-electron character and enables stochastic sampling of Green's function and screened Coulomb interaction.
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Bazile et al. (2026) studied this question.
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