ABINIT, acknowledgments.
This file provides a description of suggested acknowledgments and references to be inserted in scientific papers
whose results have been obtained thanks to ABINIT. It discusses also briefly the problem of co-authorship.
Copyright (C) 1998-2017 ABINIT group (XG,DCA, RC)
Content:
A. Introduction
In the section B. List of suggestions, you will find
several references we suggest you to cite in your papers that have benefited from ABINIT.
However, we wish first to clarify the spirit in which the present document (Acknowledgments) has
been written. The users of the code have no formal obligations
with respect to the ABINIT group (within the limits of the GNU General
Public License). However, it is common practice
in the scientific literature, to acknowledge the efforts of people
that have made the research possible.
Please note the following :
- 1) The ABINIT project, in order to be viable, should be known
as a robust tool, that has been tested, and that has allowed
good scientific research. This will be
facilitated if the ABINIT project is mentioned properly in research papers.
- 2) Some recent ideas and algorithms are coded, and it would be fair to cite these.
- 3) You might also register on the ABINIT forum.
Indirectly, this also helps the ABINIT developer group, because
the total number of registered people on the ABINIT forum
is often cited as an indicator of the user community size.
In agreement with the GNU General Public License, there
is no request for co-authorship of articles whose scientific results
have been obtained thanks to ABINIT, by any ABINIT developer.
This applies even for recently implemented features, as their
availability in a public version is governed by the GNU GPL license.
If you think your work could benefit from collaboration with
ABINIT developers, you can contact the ABINIT group
for a possible arrangement, in which case co-authorship should be discussed.
(Of course, the ABINIT developpers also have the right
to decline giving assistance to users ...).
B. List of suggestions
The first general ABINIT paper [B.1],
in the list of suggestions below, should be cited
in papers that have benefited from the ABINIT project, irrespective of their content.
There are three other ABINIT papers,
[B.2],
[B.3],[B.4],
that might as well be considered,
irrespective of the content of the paper, because these papers are quite general as well,
although they are older (2009, 2005 and 2002).
There are also many articles that are more focused: they describe some specific capability of ABINIT.
The following list is actually not complete ... More references will be proposed by ABINIT itself (see the end of the output file),
see the database of information on the input variables,
in the "topics" files,
as well as in the references of the four general papers ...
- B.1. At least, the most recent article [Gonze2016] that describes the ABINIT project should be
mentioned in the bibliography section of your paper.
A version of this paper, that is not formatted for Computer Phys. Comm.
is available at https://www.abinit.org/about/ABINIT16.pdf.
The licence allows the authors to put it on the Web.
- B.2. The previous ABINIT article [Gonze2009] is especially detailed.
A version of this paper, that is not formatted for Computer Phys. Comm.
is available here.
The licence allows the authors to put it on the Web.
- B.3. The 2005 ABINIT article [Gonze2005] is quite short.
The .pdf of the latter paper is available here.
Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag, the licence allows the authors
to put it on the Web).
- B.4. The very first paper on the ABINIT project [Gonze2002] might also be considered for citation.
- B.5. If the Projector-Augmented Wave method as implemented in ABINIT is used [Torrent2008] should be mentioned.
- B.6. Many ingredients needed for the calculations of responses to
atomic displacements or homogeneous electric fields (dynamical matrices, effective
charges and dielectric constants), as well as the Fourier interpolation implemented
in the 'anaddb' code are described in [Gonze1997] and [Gonze1997a].
- B.7. The methods used for the calculation of responses to
homogeneous strain (elastic tensors, piezoelectric tensors, and
internal force-response tensors) are described in [Hamann2005].
- B.8. If the "static" non-linear capabilities of ABINIT are used (Raman efficiencies,
electro-optic coefficients ... ), cite [Veithen2005]
- B.9. If the integration over the phonon degrees of freedom is used
(thmflag), cite [Lee1995].
- B.10. If the self-consistent capabilities of ABINIT beyond DFT are used (GW, COHSEX, HF, etc), cite [Bruneval2006].
- B.11. If the completeness relationship is used to speed up the
convergence with respect to the number of bands in a GW calculation (input variables gwcomp and gwencomp), cite [Bruneval2008]
- B.12. If the massive parallelism of ABINIT (coupled band / FFT
or even coupled band / FFT / k points ) is used, cite [Bottin2008]
(available on Arxiv.org).
- B.13. If the LDA+U method as implemented in ABINIT is used, cite [Amadon2008].
- B.14. If the ONCVPSP pseudopotentials are used, cite [Hamann2013].
- B.15. If the Van Der Waals DFT-D (Grimme) functionals are used, cite [Vantroeye2016].
- B.16. If the temperature dependence of the electronic structure or the zero-point motion effect
on the electronic structure are computed, cite [Ponce2014] and [Ponce2015].
- B.17. If the direct (DFPT) computation of effective masses is used, see topic_EffMass, cite [Laflamme2016].