Paquet : abinit-doc (8.0.8-4)
Liens pour abinit-doc
Ressources Trisquel :
Télécharger le paquet source abinit :
Responsable :
Original Maintainers:
- Debichem Team (Archive du courrier électronique)
- Andreas Tille
- Michael Banck
Ressources externes :
- Page d'accueil [www.abinit.org]
Paquets similaires :
package for electronic structure calculations (Documentation)
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 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. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
This package contains the documentation and tutorials.
Télécharger abinit-doc
Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
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all | 13 369,9 ko | 39853 ko | [liste des fichiers] |