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Version 4 (modified by alexenko, 7 years ago) (diff)

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AbInit?: Compute electronic structure using Density Functional Theory

Welcome to the AbInit? development area. This project is for people actively developing source code and documentation for this tool.

  • GettingStarted - learn how to download the current code and make changes
  • TicketSystem - use trouble tickets to report problems and document ideas for future development

What is AbInit??

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. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.

ABINIT is a project that favours development and collaboration (short presentation of the ABINIT project - 10 pages in pdf).

How do I use this site?

You can edit any of the pages in this site and add information. For more instructions, see: