Package: gpaw (22.8.0-2 and others)

[ Source: gpaw  ]

DFT and beyond within the projector-augmented wave method

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.

Other Packages Related to gpaw

• dep: gpaw-data

  gpaw datasets/setups

• dep: libc6 (>= 2.14) [amd64]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.17) [arm64, ppc64el]

  dep: libc6 (>= 2.4) [not amd64, arm64, ppc64el]

• dep: libelpa19 (>= 2022.11.001)

  Eigenvalue SoLvers for Petaflop-Applications

• dep: libfftw3-double3 (>= 3.3.10)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libopenmpi3 (>= 4.1.4)

  high performance message passing library -- shared library

• dep: libscalapack-openmpi2.2 (>= 2.2.1)

  Scalable Linear Algebra Package - Shared libs for OpenMPI

• dep: libxc9 (>= 5.0.0)

  Library of Exchange-Correlation Functionals

• dep: openmpi-bin

  high performance message passing library -- binaries

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.12)

  dep: python3 (>= 3.11~)

• dep: python3-ase (>= 3.22.1)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.22.0)

  Fast array facility to the Python 3 language

• dep: python3-numpy-abi9

  virtual package provided by python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

• dep: python3-yaml

  YAML parser and emitter for Python3

Download gpaw

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
amd64	22.8.0-2+b1	1,267.2 kB	6,908.0 kB	[list of files]
arm64	22.8.0-2+b1	1,249.7 kB	6,888.0 kB	[list of files]
armel	22.8.0-2+b1	1,270.7 kB	6,967.0 kB	[list of files]
armhf	22.8.0-2+b1	1,239.7 kB	6,771.0 kB	[list of files]
i386	22.8.0-2+b1	1,257.3 kB	6,896.0 kB	[list of files]
mips64el	22.8.0-2+b1	1,253.5 kB	6,899.0 kB	[list of files]
mipsel	22.8.0-2+b1	1,263.3 kB	6,893.0 kB	[list of files]
ppc64el	22.8.0-2+b1	1,273.1 kB	6,952.0 kB	[list of files]
s390x	22.8.0-2+b1	1,255.5 kB	6,896.0 kB	[list of files]