ASE

NAME

ase - ASE command line tool

DESCRIPTION

usage: ase [-h] [--version] [-T]

{help, info, test, gui, db, run, band-structure, build, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec} ...

ASE command line tool.

options:

-h, --help

show this help message and exit

--version

show program’s version number and exit

-T, --traceback

Sub-commands:

{help, info, test, gui, db, run, band-structure, build, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec}

	help		Help for sub-command.
	info		Print information about files or system.
	test		Run ASE’s test-suite.
	gui		ASE’s graphical user interface.
	db		Manipulate and query ASE database.
	run		Run calculation with one of ASE’s calculators.

band-structure

Plot band-structure.

build

Build an atom, molecule or bulk structure.

dimensionality

Analyze the dimensionality of the bonded clusters in a structure, using

	eos		Calculate EOS from one or more trajectory files.
	ulm		Manipulate/show content of ulm-file.
	find		Find files with atoms in them.

nebplot

Analyze NEB trajectories by making band plots.

nomad-upload

Upload files to NOMAD.

nomad-get

Get calculations from NOMAD and write to JSON files.

convert

Convert between file formats.

reciprocal

Show the reciprocal space.

completion

Add tab-completion for Bash.

	diff		Print differences between atoms/calculations.
	exec		Execute code on files.