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/ | ||
| + | |Version download=http://ftp.debian.org/debian/pool/main/a/abinit/abinit_7.8.2.orig.tar.gz | ||
|Accepts cryptocurrency donations=No | |Accepts cryptocurrency donations=No | ||
|Version identifier=7.8.2-2 | |Version identifier=7.8.2-2 | ||
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|Last review by=Bendikker | |Last review by=Bendikker | ||
|Last review date=2018/03/07 | |Last review date=2018/03/07 | ||
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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. | ||
| + | }} | ||
| + | {{Software category}} | ||
| + | {{EntryGNU | ||
| + | |Is GNU=No | ||
}} | }} | ||
{{Resource | {{Resource | ||
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|Resource URL=http://www.abinit.org/downloads/source-packages/abinit-1 | |Resource URL=http://www.abinit.org/downloads/source-packages/abinit-1 | ||
}} | }} | ||
| − | {{ | + | {{Resource |
| + | |Resource kind=VCS Repository Webview | ||
| + | |Resource URL=https://github.com/abinit/abinit | ||
| + | }} | ||
| + | {{EntryDetails | ||
| + | |Is High Priority Project=No | ||
| + | |Decommissioned or Obsolete=No | ||
| + | |Donate=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 | ||
| + | |Accepts cryptocurrency donations=No | ||
| + | |Test entry=No | ||
| + | }} | ||
{{Featured}} | {{Featured}} | ||
{{Import | {{Import | ||
Latest revision as of 13:47, 29 October 2021
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
Verified by
Verified on
Notes
License
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
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
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.