NAME
abinis - Sequential version of ABINIT
SYNOPSIS
abinis < input file > log file
.ad
DESCRIPTION
abinis is an atomic-scale simulation software and is part of the
ABINIT project.
ABINIT is a package the main program allows one to find the total
energy, charge density and electronic structure of systems made of
electrons and nuclei (molecules and periodic solids) within Density
Functional Theory (DFT), using pseudopotentials and a planewave basis.
ABINIT also includes options to optimize the geometry according to the
DFT forces and stresses, or to perform molecular dynamics simulations
using these forces, or to generate dynamical matrices, Born effective
charges, and dielectric tensors. Excited states can be computed within
the Time-Dependent Density Functional Theory (for molecules), or within
Many-Body Perturbation Theory (the GW approximation).
By default abinis reads an info block from standard input and logs
run-time messages to standard output, while writing the results of the
simulation to a file specified in the info block. The format of this
info block is described in abinit.files(5) .
abinis is the sequential version of the ABINIT code, which means that
it will run on one processor only. See abinip(1) if you are
interested in multiprocessor simulations.
VERSION
This man page is correct for the version 4.5 of ABINIT.
SEE ALSO
abinip(1) , abinit.files(5) .
You may also want to visit http://www.abinit.org/ for up-to-date
information about ABINIT and its components.
BUGS
See the ABINIT known problems page for more details.
AUTHOR
This man page has been written and is maintained by Yann Pouillon
<pouillon@pcpm.ucl.ac.be>.
COPYRIGHT
Copyright © 2004 The ABINIT Group.
This is free software; see the source for copying conditions. There is
NO warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR
PURPOSE.
NOTES
This man page is part of the ABIDOC project, which aims at improving
the conformance of the ABINIT documentation to the highest possible
standards.
If you would like to participate, please contact Yann Pouillon (see
http://www.abinit.org/ for contact information).
ABINIS(1)