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.
Availability and Restrictions
The following versions of ABINIT are available on OSC clusters:
You can use
module spider abinit to view available modules for a given machine. Feel free to contact OSC Help if you need other versions for your work.
ABINIT is available to all OSC users without restriction.
Publisher/Vendor/Repository and License Type
ABINIT, Open source
Usage on Oakley
module load abinit. The default version will be loaded. To select a particular ABINIT version, use
module load abinit/version. For example, use
module load abinit/7.10.5to load ABINIT 7.10.5 on Oakley.