xenial (1) abinit.1.gz

Provided by: abinit_7.8.2-3_amd64 bug

NAME

       abinit - Ab initio atomic-scale simulation software

SYNOPSIS

                                          abinit < input file > log file

DESCRIPTION

        abinit 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 abinit 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) .

VERSION

       This man page is correct for the version 4.5 of ABINIT.

SEE ALSO

       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 <yann.pouillon@ehu.es>.

       Copyright (C) 2004-2014 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).

                                                                                                       ABINIT(1)