ABINIT. List of features.

This file describes the major features of the ABINIT package.

Copyright (C) 1998-2012 ABINIT group (DCA,XG)
This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt .
For the initials of contributors, see ~abinit/doc/developers/contributors.txt .


0. Related documentation

Besides the documentation available on the Web, there is a wealth of information inside the package itself, see the directory "doc". The reader might consult the latest version of the "doc/users/context.txt" file for the description of the ABINIT project and its history. The latest version of the "doc/developers/planning.txt" file will give an idea of possible future developments. The different versions of the "doc/release_notes/*html" files will allow to see the actual development of the project since version 1.5, released in August 1998.

1. Available physical properties

1.A. Computation of the total energy of an assembly of nuclei and electrons placed in a repeated cell.

1.B. Derivatives of the total energy and eigenenergies (incl. linear and non-linear DFPT responses)

1.C. Excited states.

1.D. Displacement of atoms, and changes of cell parameters.

1.E. Properties at the nuclei sites.

1.F. Analysis and graphical tools.

1.e. Interfacing with other codes.

2. Speed and memory.

2.A. Speed in the sequential version.

2.B. Speed in the parallel version.

2.C. Memory.

3. The user's point of view.

3.A. The Web site.

3.B. Portability.

3.C. Running jobs, input and output files.

3.D. Documentation.

3.E. Generation of the k-points, geometries, and starting wavefunctions.

3.F. Automatic determination of input parameters.

4. The programmer's point of view.