Sub-commands

Sub-command

Description

run

Run calculation with GPAW.

info

Show versions of GPAW and its dependencies

test

Test GPAW installation.

install-data

Install PAW data-sets, pseudo-potential or basis sets.

python

Run the Python interpreter with some special GPAW CLI options.

completion

Add tab-completion for Bash.

sbatch

Submit a GPAW Python script via sbatch.

dataset

Create PAW dataset.

atom

Solve radial equation for an atom.

dos

Calculate (projected) density of states from gpw-file.

gpw

Manipulate/show content of GPAW-restart file.

diag

Calculate all or some eigenvectors/values for fixed H.

symmetry

Analyze symmetry.

rpa

Run RPA-correlation calculation.