ABINIT allows one to study, from first-principles, systems made of electrons and nuclei (e.g. periodic solids, molecules, nanostructures, etc.), on the basis of Density-Functional Theory (DFT) and Many-Body Perturbation Theory. Beyond the computation of the total energy, charge density and electronic structure of such systems, ABINIT also implements many dynamical, dielectric, thermodynamical, mechanical, or electronic properties, at different levels of approximation. The present paper provides an exhaustive account of the capabilities of ABINIT. It should be helpful to scientists that are not familiarized with ABINIT, as well as to already regular users. First, we give a broad overview of ABINIT, including the list of the capabilities and...
Abinit is probably the first electronic-structure package to have been released under an open-source...
Density Functional Theory (DFT) is one of the most used ab initio theoretical frameworks in material...
The term “first-principles calculations” is a synonym for the numerical determination of the electro...
ABINIT allows one to study, from first-principles, systems made of lectrons and nuclei (e.g. periodi...
The field of first-principles simulation of materials and nanosystems has seen an amazing developmen...
Abinit is a material- and nanostructure-oriented package that implements density-functional theory (...
International audienceAbinit is a material- and nanostructure-oriented package that implements densi...
The physical properties of crystalline solid materials are determined by the electronic structure at...
ABINIT is a package whose main program allows one to find the total energy, charge density, electron...
Although the microscopic view of solids is still evolving, for a large class of materials one can co...
Recent advances in computational physics and chemistry have lead to greater understanding and predic...
The density functional theory (DFT) computation of electronic structure, total energy and other prop...
Abinit is probably the first electronic-structure package to have been released under an open-source...
Density Functional Theory (DFT) is one of the most used ab initio theoretical frameworks in material...
The term “first-principles calculations” is a synonym for the numerical determination of the electro...
ABINIT allows one to study, from first-principles, systems made of lectrons and nuclei (e.g. periodi...
The field of first-principles simulation of materials and nanosystems has seen an amazing developmen...
Abinit is a material- and nanostructure-oriented package that implements density-functional theory (...
International audienceAbinit is a material- and nanostructure-oriented package that implements densi...
The physical properties of crystalline solid materials are determined by the electronic structure at...
ABINIT is a package whose main program allows one to find the total energy, charge density, electron...
Although the microscopic view of solids is still evolving, for a large class of materials one can co...
Recent advances in computational physics and chemistry have lead to greater understanding and predic...
The density functional theory (DFT) computation of electronic structure, total energy and other prop...
Abinit is probably the first electronic-structure package to have been released under an open-source...
Density Functional Theory (DFT) is one of the most used ab initio theoretical frameworks in material...
The term “first-principles calculations” is a synonym for the numerical determination of the electro...