.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.47.4.
.TH ASE-BUILD "1" "October 2016" "ase-build 3.12.0" "User Commands"
.SH NAME
ase-build \- Build simple molecule or bulk structure
.SH SYNOPSIS
.B ase-build
[\fI\,options\/\fR] \fI\,name/input-file \/\fR[\fI\,output-file\/\fR]
.SH OPTIONS
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-M\fR M1,M2,..., \fB\-\-magnetic\-moment\fR=\fI\,M1\/\fR,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=\fI\,VACUUM\/\fR
Amount of vacuum to add around isolated atoms (in
Angstrom).
.TP
\fB\-\-unit\-cell\fR=\fI\,UNIT_CELL\/\fR
Unit cell.  Examples: "10.0" or "9,10,11" (in
Angstrom).
.TP
\fB\-\-bond\-length\fR=\fI\,BOND_LENGTH\/\fR
Bond length of dimer in Angstrom.
.TP
\fB\-x\fR CRYSTAL_STRUCTURE, \fB\-\-crystal\-structure\fR=\fI\,CRYSTAL_STRUCTURE\/\fR
Crystal structure.
.TP
\fB\-a\fR LATTICE_CONSTANT, \fB\-\-lattice\-constant\fR=\fI\,LATTICE_CONSTANT\/\fR
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=\fI\,REPEAT\/\fR
Repeat unit cell.  Use "\-r 2" or "\-r 2,3,1".
.HP
\fB\-g\fR, \fB\-\-gui\fR