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ASE-BUILD(1) User Commands ASE-BUILD(1)

NAME

ase-build - Build simple molecule or bulk structure

SYNOPSIS

ase-build [options] name/input-file [output-file]

OPTIONS

show this help message and exit
Magnetic moment(s). Use "-M 1" or "-M 2.3,-2.3".
Modify atoms with Python statement. Example: --modify="atoms.positions[-1,2]+=0.1".
Amount of vacuum to add around isolated atoms (in Angstrom).
Unit cell. Examples: "10.0" or "9,10,11" (in Angstrom).
Bond length of dimer in Angstrom.
Crystal structure.
Lattice constant(s) in Angstrom.
Use orthorhombic unit cell.
Use cubic unit cell.
Repeat unit cell. Use "-r 2" or "-r 2,3,1".

-g, --gui

October 2016 ase-build 3.12.0