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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-19.8.1.tar.gz (1.5 MB view hashes)

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