abinis - Sequential version of ABINIT
abinis < input file > log file
abinis is an atomic-scale simulation software and is part of the
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.
This man page is correct for the version 4.5 of ABINIT.
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.
See the ABINIT known problems page for more details.
This man page has been written and is maintained by Yann Pouillon
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
This man page is part of the ABIDOC project, which aims at improving
the conformance of the ABINIT documentation to the highest possible
If you would like to participate, please contact Yann Pouillon (see
http://www.abinit.org/ for contact information).