ase-build(1) Build simple molecule or bulk structure

SYNOPSIS

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

OPTIONS

-h, --help
show this help message and exit
-M M1,M2,..., --magnetic-moment=,M1/,M2,...
Magnetic moment(s). Use "-M 1" or "-M 2.3,-2.3".
--modify=...
Modify atoms with Python statement. Example: --modify="atoms.positions[-1,2]+=0.1".
-v VACUUM, --vacuum=,VACUUM/
Amount of vacuum to add around isolated atoms (in Angstrom).
--unit-cell=,UNIT_CELL/
Unit cell. Examples: "10.0" or "9,10,11" (in Angstrom).
--bond-length=,BOND_LENGTH/
Bond length of dimer in Angstrom.
-x CRYSTAL_STRUCTURE, --crystal-structure=,CRYSTAL_STRUCTURE/
Crystal structure.
-a LATTICE_CONSTANT, --lattice-constant=,LATTICE_CONSTANT/
Lattice constant(s) in Angstrom.
--orthorhombic
Use orthorhombic unit cell.
--cubic
Use cubic unit cell.
-r REPEAT, --repeat=,REPEAT/
Repeat unit cell. Use "-r 2" or "-r 2,3,1".
-g, --gui