ABINIT
- Axel Keller
Owned by Axel Keller
Description
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.
More information
- Homepage: https://www.abinit.org/
Available Versions of ABINIT
Version | Module | Available on |
|---|---|---|
9.6.2-intel-2021b | chem/ABINIT/9.6.2-intel-2021b | Noctua 2 |
9.6.2-foss-2022a | chem/ABINIT/9.6.2-foss-2022a | Noctua 2 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
Usage Hints for ABINIT
If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.