ABINIT : the tutorials


These tutorials are aimed at teaching the use of ABINIT, in the UNIX/Linux OS and its variants (OSF, HP-UX, AIX ...). They might be used for other operating systems, but the commands have to be adapted.

Note that they can be accessed from the ABINIT web site as well as from your local ~abinit/doc/tutorial/welcome.html file. The latter solution is of course preferable, as the response time will be independent on the network traffic.

At present, more than a dozen lessons are available. Each of them is at most two hours of student work. Lessons 1-4 cover the basics, other lectures are more specialized.

Copyright (C) 2000-2010 ABINIT group (XG,RC)
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 .

Goto : ABINIT home Page | Suggested acknowledgments | List of input variables | Tutorial home page | Bibliography
Help files : New user's guide | Abinit (main) | Abinit (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic

Before following the tutorials, you should have read the "new user's guide", as well as the pages 1045-1058 of the paper "Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients", by M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992) or, if you have more time, you should browse through the Chaps. 1 to 13 , and appendices L and M of the book Electronic Structure. Basic Theory and Practical Methods. R. M. Martin. Cambridge University Press (2004) ISBN 0 521 78285 6. The latter reference is a must if you have not yet used another electronic structure code or a Quantum Chemistry package.

After the tutorial, you might find useful to learn about the tests cases contained in directories ~abinit/test/fast, ~abinit/test/v1, ~abinit/test/v2, ~abinit/test/v3, ~abinit/test/v4 and ~abinit/test/v5, that provide many example input files. You should have a look at the README files of these directories.

Additional informations can be found in the ~abinit/doc directory, including the description of the ABINIT project, guide lines for developpers, more on the use of the code (tuning) ...


Index

Basic lessons :
lesson 1, lesson 2, lesson 3, lesson 4

Specialized lessons (except response functions):
spin, GW1, GW2, TDDFT, Polarization and finite electric field, Analysis Tools, PAW1, PAW2, LDA+U, Wannier90, ABINIT in parallel, Source code

Specialized lessons (response functions):
Response-Function 1, Response-Function 2, Optic, Electron-phonon interaction, Elastic properties, Static non-linear properties (+finite electric field)


Brief description of each lesson's content :

The following topics should be covered later :

NOTE that not all functionalities of ABINIT are covered by these tutorials. For a complete list of functionalities, please see the directory ~abinit/doc/features . For examples on how to use these functionalities, please see the ~abinit/tests directories, and their accompanying README files.


Goto : ABINIT home Page | Suggested acknowledgments | List of input variables | Tutorial home page | Bibliography
Help files : New user's guide | Abinit (main) | Abinit (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic