py311-gpaw
24.6.0_4DFT and beyond within the projector-augmented wave method in chemistry
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.
Origin: science/py-gpaw
Category: science
Size: 26.8MiB
License: GPLv3+
Maintainer: yuri@FreeBSD.org
Dependencies: 11 packages
Required by: 0 packages
Website: wiki.fysik.dtu.dk/gpaw
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pkg install py311-gpawDependencies (11)
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