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147 lines
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Markdown
147 lines
7.8 KiB
Markdown
---
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description: Suggested acknowledgments and references
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---
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# Acknowledgments
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This file provides a description of suggested acknowledgments and references
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to be inserted in scientific papers whose results have been obtained thanks to
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ABINIT. It discusses also briefly the problem of co-authorship.
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## Introduction
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In the next section, you will find several references we suggest you to cite in your papers that have benefited
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from ABINIT. However, we wish first to clarify the spirit in which the present document has been written.
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The users of the code have no formal obligations with respect to the ABINIT group (within the limits of the
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GNU General Public License). However, it is common practice in the scientific
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literature, to acknowledge the efforts of people that have made the research possible.
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Please note the following:
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1. The ABINIT project, in order to be viable, should be known as a robust tool,
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that has been tested, and that has allowed good scientific research.
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This will be facilitated if the ABINIT project is mentioned properly in research papers.
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2. Some recent ideas and algorithms are coded, and it would be fair to cite these.
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3. You might also register on the [ABINIT discourse forum](https://discourse.abinit.org).
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Indirectly, this also helps the ABINIT developer group, because the total number of registered people
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on the forum is often cited as an indicator of the user community size.
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In agreement with the GNU General Public License, there is no request for co-authorship
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of articles whose scientific results have been obtained thanks to ABINIT, by any ABINIT developer.
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This applies even for recently implemented features, as their availability in a public version
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is governed by the GNU GPL license.
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If you think your work could benefit from collaboration with ABINIT developers,
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you can contact the ABINIT group for a possible arrangement, in which case co-authorship should be discussed.
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(Of course, the ABINIT developers also have the right to decline giving assistance to users).
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## List of suggestions
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The 2020 ABINIT article [Gen.1](#g1), that describe the impact, environment and recent developments,
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first in the list of suggestions below, should be cited in papers that have benefited from the
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ABINIT project, irrespective of their content.
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The other 2020 ABINIT article [Gen.2](#g2), an overview of the ABINIT project, with focus on specific developments,
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is also strongly suggested for citation. In particular, see the overview of ABINIT capabilities, in Tables I and II.
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There are four other ABINIT articles, [Gen.3](#g3), [Gen.4](#g4), [Gen.5](#g5), and [Gen.6](#g6) that might as well be
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considered, irrespective of ther content, because these publications are
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quite general as well, although they are older (2016, 2009, 2005 and 2002).
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There are also many articles that are more focused: they describe some
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specific capability of ABINIT. The following list is actually not complete...
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More references will be proposed by ABINIT itself (see the end of the output
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file), see the [[varset:allvars|database]] of information on the input variables,
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in the [[topic:index|topics files]]. as well as in the references of the five general papers.
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<a id="g1"></a>
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- **Gen.1** At least, the most recent article [[cite:Gonze2020]] that describes the ABINIT project
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(impact, environment and recent developments)
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should be mentioned in the bibliography section of your paper.
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A version of this paper, that is not formatted for Computer Phys. Comm. is available
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[here](https://www.abinit.org/sites/default/files/ABINIT20.pdf).
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The licence allows the authors to put it on the Web.
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<a id="g2"></a>
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- **Gen.2** The other 2020 ABINIT article [[cite:Romero2020]] that describes the ABINIT project
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(overview and specific developments) is also a strong suggestion for citation
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in the bibliography section of your paper.
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A version of this paper, that is not formatted for J. Chem. Phys. is available
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[here](https://www.abinit.org/sites/default/files/ABINIT20_JPC.pdf).
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The licence allows the authors to put it on the Web.
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<a id="g3"></a>
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- **Gen.3** A version of the 2016 ABINIT article [[cite:Gonze2016]],
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that is not formatted for Computer Phys. Comm. is available
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[here](https://www.abinit.org/sites/default/files/ABINIT16.pdf).
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The licence allows the authors to put it on the Web.
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<a id="g4"></a>
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- **Gen.4**. The 2009 ABINIT article [[cite:Gonze2009]] is especially detailed. A version of this paper,
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that is not formatted for Computer Phys. Comm. is available
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[here](https://www.abinit.org/sites/default/files/about/ABINIT_CPC_v10.pdf).
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The licence allows the authors to put it on the Web.
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<a id="g5"></a>
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- **Gen.5**. The 2005 ABINIT article [[cite:Gonze2005]] is quite short.
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The .pdf of the latter paper is available [here](https://www.abinit.org/sites/default/files/zfk_0505-06_558-562.pdf).
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Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
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the licence allows the authors to put it on the Web).
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<a id="g6"></a>
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- **Gen.6**. The very first paper on the ABINIT project [[cite:Gonze2002]] might also be considered for citation.
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<a id="s1"></a>
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- **Spe.1.** If the Projector-Augmented Wave method as implemented in ABINIT is used [[cite:Torrent2008]] should be mentioned.
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<a id="s2"></a>
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- **Spe.2.** Many ingredients needed for the calculations of responses to atomic displacements
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or homogeneous electric fields (dynamical matrices, effective charges and dielectric constants),
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as well as the Fourier interpolation implemented in the 'anaddb' code are described in [[cite:Gonze1997]] and [[cite:Gonze1997a]].
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<a id="s3"></a>
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- **Spe.3.** The methods used for the calculation of responses to homogeneous strain
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(elastic tensors, piezoelectric tensors, and internal force-response tensors) are described in [[cite:Hamann2005]].
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<a id="s4"></a>
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- **Spe.4.** If the "static" non-linear capabilities of ABINIT are used (Raman efficiencies, electro-optic coefficients ... ),
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cite [[cite:Veithen2005]]
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<a id="s5"></a>
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- **Spe.5.** If the integration over the phonon degrees of freedom is used ([[anaddb:thmflag]]), cite [[cite:Lee1995]].
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<a id="s6"></a>
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- **Spe.6.** If the self-consistent capabilities of ABINIT beyond DFT are used (GW, COHSEX, HF, etc),
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cite [[cite:Bruneval2006]].
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<a id="s7"></a>
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- **Spe.7.** If the completeness relationship is used to speed up the convergence with respect to the number
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of bands in a GW calculation (input variables [[gwcomp]] and [[gwencomp]]), cite [[cite:Bruneval2008]]
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<a id="s8"></a>
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- **Spe.8.** If the massive parallelism of ABINIT (coupled band/FFT or even coupled band/FFT/k-points ) is used,
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cite [[cite:Bottin2008]] ([available on Arxiv.org](https://arxiv.org/abs/0707.3405)).
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<a id="s9"></a>
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- **Spe.9.** If the DFT+U method as implemented in ABINIT is used, cite [[cite:Amadon2008]].
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<a id="s10"></a>
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- **Spe.10.** If the ONCVPSP pseudopotentials are used, cite [[cite:Hamann2013]].
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<a id="s11"></a>
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- **Spe.11.** If the Van Der Waals DFT-D (Grimme) functionals are used, cite [[cite:Vantroeye2016]].
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<a id="s12"></a>
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- **Spe.12.** If the temperature dependence of the electronic structure or the zero-point motion effect
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on the electronic structure are computed, cite [[cite:Ponce2014]] and [[cite:Ponce2015]].
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<a id="s13"></a>
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- **Spe.13.** If the direct (DFPT) computation of effective masses is used, see [[topic:EffectiveMass]], cite [[cite:Laflamme2016]].
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<a id="s14"></a>
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- **Spe.14.** If flexoelectricity or dynamical quadrupoles are computed, cite [[cite:Royo2019]].
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<a id="s15"></a>
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- **Spe.15.** If the new procedure for electron-phonon calculations [[optdriver]]=7 is used, cite [[cite:Brunin2020]] and/or [[cite:Brunin2020b]].
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<a id="s16"></a>
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- **Spe.16.** If the Linear Response UJ (lrUJ) utility or the renovated aspects of the UJ Determination (UJdet) implementation are used, cite [[cite:MacEnulty2024]] and, if relevant, [[cite:MacEnulty2023]].
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