GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions
References in zbMATH (referenced in 1 article )
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- Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas: Development of an exchange-correlation functional with uncertainty quantification capabilities for density functional theory (2016)