Difference between revisions of "ABINIT"

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set of pseudopotentials, install the abinit-data package.
 
set of pseudopotentials, install the abinit-data package.
 
|Homepage URL=http://www.abinit.org/
 
|Homepage URL=http://www.abinit.org/
|User level=
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|Accepts cryptocurrency donations=No
|Component programs=
 
|VCS checkout command=
 
|Computer languages=
 
|Status=
 
|Is GNU=No
 
 
|Version identifier=7.8.2-2
 
|Version identifier=7.8.2-2
|Version download=http://ftp.debian.org/debian/pool/main/a/abinit/abinit_7.8.2.orig.tar.gz  
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|Version download=http://ftp.debian.org/debian/pool/main/a/abinit/abinit_7.8.2.orig.tar.gz
|Submitted by=Debian import
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|Last review by=Bendikker
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|Last review date=2018/03/07
 
|Submitted date=2015-07-17
 
|Submitted date=2015-07-17
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|Is GNU=No
{{Import
 
|Source=Debian
 
|Source link=http://packages.debian.org/sid/abinit
 
|Source packages=abinit 7.8.2-2
 
|Date=2015-07-17
 
 
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{{Project license
 
{{Project license
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project.org/lppl.txt and version 1.3 or later is part of all
 
project.org/lppl.txt and version 1.3 or later is part of all
 
distributions of LaTeX version 2003/12/01 or later.
 
distributions of LaTeX version 2003/12/01 or later.
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}}
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{{Resource
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|Resource audience=Debian (Ref) (R)
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|Resource URL=https://tracker.debian.org/pkg/abinit
 
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{{Resource
 
{{Resource
 
|Resource kind=Download
 
|Resource kind=Download
 
|Resource URL=http://www.abinit.org/downloads/source-packages/abinit-1
 
|Resource URL=http://www.abinit.org/downloads/source-packages/abinit-1
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{{Software category}}
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{{Featured}}
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{{Import
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|Date=2015-07-17
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|Source=Debian
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|Source link=http://packages.debian.org/sid/abinit
 
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Revision as of 04:45, 7 March 2018


[edit]

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



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

Verified by

Verified on

Notes

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.

License

Other

Verified by

Debian: Andreas Tille <tille@debian.org>

Verified on

3 September 2014

Notes

License: gpl3+




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
VCS Repository Webviewhttps://github.com/abinit/abinit


Software prerequisites




Entry










"Debian (Ref) (R)" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property.








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

[[Category:]]



Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.3 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the page “GNU Free Documentation License”.

The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.