gpaw

DFT and beyond within the projector-augmented wave method

Command lineScience

Not tested on a device yet. What that means

Commands in the package

gpaw
gpaw-analyse-basis
gpaw-basis
gpaw-plot-parallel-timings
gpaw-runscript
gpaw-setup
gpaw-upfplot

About gpaw

From Debian's package description

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.

From Debian's description of the gpaw package, under that package's license.

Dependencies

Depends on

gpaw-data
openmpi-bin
python3-ase
python3-scipy
python3-numpy2-abi0orpython3-numpy-abi9
python3
python3
python3-numpy
python3
libc6
libelpa19
libfftw3-double3
libopenmpi40
libscalapack-openmpi2.2
libxc9

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Sources and licenses

Name: the Debian package name.
Summary: Debian's short description of the gpaw package, under that package's license.
Description: Debian's description of the gpaw package, under that package's license.
Versions and sizes: Debian's archive for ARM64, as on packages.debian.org.
Popularity: Debian Popularity Contest counts.