NAME

       ase-build - 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

ase-build 3.9.1.4567                                July 2015                                       ASE-BUILD(1)