The Abinit project: Impact, environment and recent developments

Abinit is a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles, numerous properties including total energy, electronic structure, vibrational and thermodynamic properties, different dielectric and non-linear optical properties, and related spectra. In the special issue to celebrate the 40th anniversary of CPC, published in 2009, a detailed account of Abinit was included [Gonze et al. (2009)], and has been amply cited. The present article comes as a follow-up to this 2009 publication. It includes an analysis of the impact that Abinit has had, through for example the bibliometric indicators of the 2009 publication. Links with several other computational materials science projects are described. This article also covers the new capabilities of Abinit that have been implemented during the last three years, complementing a recent update of the 2009 article published in 2016. Physical and technical developments inside the abinit application are covered, as well as developments provided with the Abinit package, such as the multibinit and a-tdep projects, and related Abinit organization developments such as AbiPy . The new developments are described with relevant references, input variables, tests, and tutorials.Abinit是一款面向材料与纳米结构的计算软件包，其依托密度泛函理论（DFT）与多体微扰理论（MBPT），可从第一性原理出发计算诸多物理性质，涵盖总能量、电子结构、振动与热力学性质、各类介电与非线性光学性质，以及相关光谱。在2009年出版的CPC创刊40周年特刊中，收录了关于Abinit的详细综述文献[Gonze等人，2009年]，该文被广泛引用。本文作为该2009年文献的续作，通过2009年文献的文献计量指标等维度，分析了Abinit所产生的学术影响。本文还介绍了该软件包与其他多项计算材料科学项目的关联。此外，本文涵盖了过去三年间Abinit新增的功能特性，作为2009年文献2016年更新版的补充内容。文中既阐述了Abinit程序内部的物理与技术改进，也介绍了随Abinit软件包一同推出的衍生项目（如multibinit与a-tdep项目）及Abinit生态相关的组织开发成果（如AbiPy）。所有新增开发内容均配有相关参考文献、输入变量说明、测试用例与教程。