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ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis.
Description
ABINIT est un paquet dont le programme principal permet de trouver l'énergie totale, la densité de charge et la structure électronique de systèmes composés d'électrons et de noyaux (molécules et solides périodiques) dans le cadre de la théorie fonctionnelle de la densité (DFT, «[nbsp]Density Functional Theory[nbsp]») en utilisant des pseudo-potentiels et une base d'onde plane.
Translated by Michael Vogt
Located in Package: abinit-doc Package: abinit-data Package: abinit
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