NAME

       abinis - Sequential version of ABINIT

SYNOPSIS

                                          abinis < input file > log file

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  Func‐
       tional  Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to opti‐
       mize 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 in‐
       fo 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  compo‐
       nents.

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 MER‐
       CHANTABILITY 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  docu‐
       mentation 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)