ABINIT

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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.





Licensing

License

Verified by

Verified on

Notes

License

Other

Verified by

Debian: Andreas Tille <tille@debian.org>

Verified on

3 September 2014

Notes

License: gpl3+

License

Other

Verified by

Debian: Andreas Tille <tille@debian.org>

Verified on

3 September 2014

Notes

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.




Leaders and contributors

Resources and communication

AudienceResource typeURI
Downloadhttp://www.abinit.org/downloads/source-packages/abinit-1
Debian (Ref) (R)https://tracker.debian.org/pkg/abinit


Software prerequisites

This entry (in part or in whole) was last reviewed on 7 March 2018.



Entry






Date 2015-07-17
Source Debian
Source link http://packages.debian.org/sid/abinit

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