SIESTA (computer program)
From Wikipedia, the free encyclopedia
For other uses, see Siesta (disambiguation).
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and a software implementation for performing electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
It uses a density functional theory code that predicts the physical properties of a collection of atoms.
Properties that can be predicted using the code include Kohn-Sham band-structures, electron density, and Mulliken populations.
[edit] References
- Soler, José M.; et al. (2002). "The SIESTA method for ab initio order-N materials simulation" (abstract). Journal of Physics: Condensed Matter 14: 2745–2779. doi:.
[edit] External links
 |
This software-related article is a stub. You can help Wikipedia by expanding it. |
 |
This physics-related article is a stub. You can help Wikipedia by expanding it. |
