Libxc
Libxc
http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
Library of Exchange-Correlation Functionals
LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. Supported XC functionals include:
- Local Density Approximation (LDA) functionals including Slater
exchange, and VWN, Perdew-Zunger or PADE correlation. * Generalized Gradient Approximation (GGA) XC functionals including PBE, PW91, BLYP, HCTH93, HCTH120, HCTH147, HCTH407, as well as B88 exchange and LYP or P86 correlation. * Hybrid XC functionals including B3LYP, PBE0, B97, X3LYP, BHANDH, HSE03 and HSE06. * Meta-GGA XC functionals including TPSS, M05 and M06.
Licensing
License
Verified by
Verified on
Notes
License
Verified by
Debian: Michael Banck <mbanck@debian.org>
Verified on
29 November 2014
Notes
License: lgpl-3+
Leaders and contributors
Contact(s) | Role |
---|---|
libxc@tddft.org | contact |
Resources and communication
Audience | Resource type | URI |
---|---|---|
Debian (Ref) | https://tracker.debian.org/pkg/libxc | |
Download | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc:download |
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.