» Ubuntu » Pakete » lucid (10.04LTS) » science » abinit
lucid  ] [  precise  ] [  trusty  ] [  utopic  ] [  vivid  ]
[ Quellcode: abinit  ]

Paket: abinit (5.3.4.dfsg-3build1) [universe]

Links für abinit

Screenshot

Ubuntu-Ressourcen:

Quellcode-Paket abinit herunterladen:

Betreuer:

Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.

Original Maintainers (usually from Debian):

  • Debian Scientific Computing Team (E-Mail-Archiv)
  • Christophe Prud'homme
  • Ondrej Certik

It should generally not be necessary for users to contact the original maintainer.

Externe Ressourcen:

Ähnliche Pakete:

A package for electronic structure calculations

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 all programs needed to perform calculations. For documentation and tests, install the abinit-doc package.

Andere Pakete mit Bezug zu abinit

  • hängt ab von
  • empfiehlt
  • schlägt vor
  • enhances
  • sug: abinit-doc
    A package for electronic structure calculations

abinit herunterladen

Download für alle verfügbaren Architekturen
Architektur Paketgröße Größe (installiert) Dateien
amd64 5.323,4 kB13.476,0 kB [Liste der Dateien]
i386 4.829,4 kB12.032,0 kB [Liste der Dateien]