Command-line interface

gpaw/cli/

$ ase build -x diamond -a 5.43 Si si.xyz
$ gpaw run -p "mode=pw,kpts={density:4},xc=PBE" -w si.gpw si.xyz
$ gpaw dos si.gpw -p -w0 -a Si-sp -r -10 2
../_images/dos.png

See also

Atomic simulation recipes (ASR): Collection of recipes (currently based on GPAW):

$ python -m asr.relax

Tip

gpaw not on $PATH? Use python -m gpaw <sub-command> instead.