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Package: libxc9 (5.2.3-1)

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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 3,739.1 kB11,876.0 kB [list of files]
arm64 3,486.0 kB7,839.0 kB [list of files]
armel 4,479.5 kB19,275.0 kB [list of files]
armhf 3,393.8 kB9,035.0 kB [list of files]
i386 2,471.9 kB9,217.0 kB [list of files]
mips64el 4,008.1 kB8,902.0 kB [list of files]
mipsel 3,994.0 kB9,840.0 kB [list of files]
ppc64el 3,792.3 kB8,159.0 kB [list of files]
s390x 3,407.2 kB8,558.0 kB [list of files]