ABINIT
Abinit
http://www.abinit.org/
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 the executables needed to perform calculations (however, pseudopotentials are not supplied). For a set of pseudopotentials, install the abinit-data package.
Download
http://ftp.debian.org/debian/pool/main/a/abinit/abinit_7.8.2.orig.tar.gz
Donate link
https://www.abinit.org/help-abinit_-_"How_to_donate"_will_give_you_this_email_address_to_donate_cash_or_hardware_Xavier.gonze_at_uclouvain.be
Categories
Licensing
License
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License
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Debian: Andreas Tille <tille@debian.org>
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3 September 2014
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License: lppl
LPPL This work may be distributed and/or modified under the conditions of the LaTeX Project Public License, either version 1.3 of this license or (at your option) any later version. The latest version of this license is in http://www.latex- project.org/lppl.txt and version 1.3 or later is part of all
distributions of LaTeX version 2003/12/01 or later.License
Verified by
Debian: Andreas Tille <tille@debian.org>
Verified on
3 September 2014
Notes
License: gpl3+
Leaders and contributors
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Download | http://www.abinit.org/downloads/source-packages/abinit-1 | |
| Debian (Ref) (R) | https://tracker.debian.org/pkg/abinit | |
| VCS Repository Webview | https://github.com/abinit/abinit |
Software prerequisites
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