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Package: gpaw (22.1.0-1build1)

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

  • depends
  • recommends
  • suggests
  • 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) [armhf]
  • dep: libelpa17 (>= 2021.11.001)
    Eigenvalue SoLvers for Petaflop-Applications
  • dep: libfftw3-double3 (>= 3.3.5)
    Library for computing Fast Fourier Transforms - Double precision
  • dep: libopenmpi3 (>= 4.1.2)
    high performance message passing library -- shared library
  • dep: libscalapack-openmpi2.1 (>= 2.1.0)
    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 (<< 3.11)
    dep: python3 (>= 3.10~)
  • dep: python3-ase (>= 3.22.1)
    Atomic Simulation Environment (Python 3)
  • dep: python3-numpy (>= 1:1.20.0)
    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

Download gpaw

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 1,253.3 kB6612 kB [list of files]
arm64 1,252.6 kB6547 kB [list of files]
armhf 1,227.9 kB6466 kB [list of files]
ppc64el 1,284.2 kB6647 kB [list of files]