Libxc

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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

LGPLv3

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

AudienceResource typeURI
Debian (Ref)https://tracker.debian.org/pkg/libxc
Downloadhttp://www.tddft.org/programs/octopus/wiki/index.php/Libxc:download


Software prerequisites




Entry








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

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