The Abinit package simulates the atomic-scale properties of matter, including molecules, nanosystems, and minerals. It relies upon the laws of quantum mechanics and electromagnetism, without using adjustable parameters.
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 plane-wave 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, various utility programs are provided.
Project information
- Licence:
- GNU GPL v3
View full history Series and milestones
devel series is the current focus of development.
All code Code
- Version control system:
- Bazaar
- Programming languages:
- Fortran 90, C, C++, Python, Perl
All questions Latest questions
All packages Packages in Distributions
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abinit source package in Xenial
Version 7.8.2-3 uploaded -
abinit source package in Trusty
Version 5.3.4.dfsg-4 uploaded -
abinit source package in Sid
Version 9.10.4-3 uploaded -
abinit source package in Precise
Version 5.3.4.dfsg-3build2 uploaded -
abinit source package in Oracular
Version 9.10.4-2ubuntu3 uploaded
All bugs Latest bugs reported
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Bug #2047454: Can't compile Abinit 9.10.1-3 with Intel ifort 2021 or ifx 2024
Reported -
Bug #1650732: Abinit 8.0.8b configure - libxc 2.2 not found
Reported -
Bug #1249751: Unassociated array pointer referenced in m_wfs.F90
Reported -
Bug #1249749: variable AFFORD undefined in scfcv.F90
Reported -
Bug #1249746: division by zero in pawdenpot.F90:325
Reported
More contributors Top contributors
- Viktor Oudovenko 4 points