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gpaw-vdw

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GPAW: DFT and beyond within the projector-augmented wave method

Installation

To install this package, run one of the following:

Conda
$conda install alchem0x2a::gpaw-vdw

Usage Tracking

21.1.0
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Downloads (Last 6 months): 0

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.

About

Summary

GPAW: DFT and beyond within the projector-augmented wave method

Last Updated

Jan 31, 2021 at 23:36

License

GPL-3.0

Supported Platforms

linux-64
macOS-64