abinit_seq
ABINIT is a quantum chemistry software based on the DFT (Density Functional Theory) method.
ABINIT is a quantum chemistry software based on the DFT (Density Functional Theory) method.
To install this package, run one of the following:
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 or wavelet 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, based on Density-Functional Perturbation Theory, and many more properties. Excited states can be computed within the Many-Body Perturbation Theory (the GW approximation and the Bethe-Salpeter equation), and Time-Dependent Density Functional Theory (for molecules). In addition to the main ABINIT code, different utility programs are provided.
Summary
ABINIT is a quantum chemistry software based on the DFT (Density Functional Theory) method.
Last Updated
Sep 2, 2019 at 21:28
License
GPL
Total Downloads
144
Supported Platforms
Unsupported Platforms
GitHub Repository
https://github.com/abinit/abinit