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

Installers

  • linux-64 v21.1.0
  • osx-64 v21.1.0

conda install

To install this package run one of the following:
conda install alchem0x2a::gpaw-vdw

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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