[ddp] abinit : A package for electronic structure calculations

[daily-debian-package at enix.org]

Hello,

Today, I'm happy to present you the Debian package abinit, which is
part of the science section, and maintained by Debian Scientific
Computing Team <pkg-scicomp-devel at lists.alioth.debian.org>. 

This package contains : 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.


Package homepage     :
 http://packages.debian.org/unstable/science/abinit

Package bug homepage :
 http://bugs.debian.org/abinit

Package QA homepage  :
 http://packages.qa.debian.org/abinit

Have fun with Debian packages !

-- 
Daily Debian package, by Thomas Petazzoni, thanks to Jérome Petazzoni
Daily-debian-package at the-doors.enix.org
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http://thomas.enix.org/DebianPackageDay