Bureaucrats, cc_docs_admin, cc_staff
2,310
edits
ABINIT: Difference between revisions
no edit summary
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
[[Category:Software]] | [[Category:Software]] | ||
[https://www.abinit.org ABINIT] is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT). ABINIT can calculate molecules, nanostructures and solids with any chemical composition, and comes with several complete and robust tables of atomic | The [https://www.abinit.org ABINIT] program is "a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT). ABINIT can calculate molecules, nanostructures and solids with any chemical composition, and comes with several complete and robust tables of atomic potential", according to its authors. | ||
Run <code>module spider abinit</code> to see what versions of ABINIT are currently available. Run it again with a specific version number, e.g. <code>module spider abinit/8.4.4</code>, to see if there are other modules that must be loaded first. See [[Utiliser des modules/en|Using modules]] for more on the <code>module</code> command. | Run <code>module spider abinit</code> to see what versions of ABINIT are currently available. Run it again with a specific version number, e.g. <code>module spider abinit/8.4.4</code>, to see if there are other modules that must be loaded first. See [[Utiliser des modules/en|Using modules]] for more on the <code>module</code> command. | ||