ABINIT
Category: Stand-alone products
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Other products by this author
Current release: ABINIT 6.0.2
Released Mar 01, 2010 — tested with OpenMPI, MPICH2, ATLAS, gfortran, ifort, xlf, PathScale, g95
Production version (see the accompanying letter)
Experimental releases
Upcoming and alpha/beta/candidate releases
- Alpha releases should only be used for testing and development.
- Beta releases and Release Candidates are normally released for production testing, but should not be used on mission-critical sites.
- Always install on a separate test server first, and make sure you have proper backups before installing.
Most noticeable achievements
- Project resources
Documentation
Releases
Roadmap
Contact address
Project pageABINIT 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).s
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