GPAW: DFT and beyond within the projector-augmented wave method
Project description
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 plane-waves, atom-centered basis-functions or real-space uniform grids combined with multigrid methods.
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gpaw-19.8.0.tar.gz
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