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Ab initio engines

General information

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

Full documentation: https://wiki.fysik.dtu.dk/gpaw/documentation/documentation.html

Source code: https://gitlab.com/gpaw/gpaw

Detailed information

Short description: GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).