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Package: libxc5 (4.2.3-3)

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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.

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 1,949.3 kB6,546.0 kB [list of files]
arm64 1,972.4 kB4,227.0 kB [list of files]
armel 2,345.6 kB10,658.0 kB [list of files]
armhf 2,073.6 kB5,466.0 kB [list of files]
i386 1,318.3 kB4,938.0 kB [list of files]
mips 2,215.2 kB5,436.0 kB [list of files]
mips64el 2,282.0 kB5,128.0 kB [list of files]
mipsel 2,413.7 kB6,040.0 kB [list of files]
ppc64el 2,239.3 kB4,887.0 kB [list of files]
s390x 1,997.9 kB5,123.0 kB [list of files]