.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.47.4.
.TH ASE-BUILD "1" "July 2017" "ase-build 3.14.1" "User Commands"
.SH NAME
ase-build \- Build simple molecule or bulk structure
.SH DESCRIPTION
Please use "ase build" instead of "ase\-build"
usage: ase build [\-h] [\-M M1,M2,...] [\-\-modify ...] [\-V VACUUM] [\-v VACUUM0]
.IP
[\-\-unit\-cell UNIT_CELL] [\-\-bond\-length BOND_LENGTH]
[\-x {sc,fcc,bcc,hcp,diamond,zincblende,rocksalt,cesiumchloride,fluorite,wurtzite}]
[\-a LATTICE_CONSTANT] [\-\-orthorhombic] [\-\-cubic] [\-r REPEAT]
[\-g] [\-\-periodic]
name/input\-file [output]
.PP
Build an atom, molecule or bulk structure
.SS "positional arguments:"
.IP
name/input\-file
output
.SS "optional arguments:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-M\fR M1,M2,..., \fB\-\-magnetic\-moment\fR M1,M2,...
Magnetic moment(s). Use "\-M 1" or "\-M 2.3,\-2.3".
.TP
\fB\-\-modify\fR ...
Modify atoms with Python statement. Example:
\fB\-\-modify=\fR"atoms.positions[\-1,2]+=0.1".
.TP
\fB\-V\fR VACUUM, \fB\-\-vacuum\fR VACUUM
Amount of vacuum to add around isolated atoms (in
Angstrom).
.TP
\fB\-v\fR VACUUM0, \fB\-\-vacuum0\fR VACUUM0
Deprecated. Use \fB\-V\fR or \fB\-\-vacuum\fR instead.
.TP
\fB\-\-unit\-cell\fR UNIT_CELL
Unit cell. Examples: "10.0" or "9,10,11" (in
Angstrom).
.TP
\fB\-\-bond\-length\fR BOND_LENGTH
Bond length of dimer in Angstrom.
.TP
\fB\-x\fR {sc,fcc,bcc,hcp,diamond,zincblende,rocksalt,cesiumchloride,fluorite,wurtzite}, \fB\-\-crystal\-structure\fR {sc,fcc,bcc,hcp,diamond,zincblende,rocksalt,cesiumchloride,fluorite,wurtzite}
Crystal structure.
.TP
\fB\-a\fR LATTICE_CONSTANT, \fB\-\-lattice\-constant\fR LATTICE_CONSTANT
Lattice constant(s) in Angstrom.
.TP
\fB\-\-orthorhombic\fR
Use orthorhombic unit cell.
.TP
\fB\-\-cubic\fR
Use cubic unit cell.
.TP
\fB\-r\fR REPEAT, \fB\-\-repeat\fR REPEAT
Repeat unit cell. Use "\-r 2" or "\-r 2,3,1".
.HP
\fB\-g\fR, \fB\-\-gui\fR
.HP
\fB\-\-periodic\fR