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gpaw

DFT and beyond within the projector-augmented wave method

Description

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, atom-centered basis-functions or plane-waves.

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Homepage

https://wiki.fysik.dtu.dk/gpaw/


Statistics

1909 other people were interested in this package here. The newest known version of this software is 19.8.1-1 (Information last updated about 14 hours ago.)