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Package: libxc9 (5.2.3-1 and others)

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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 Version Package Size Installed Size Files
amd64 5.2.3-1+b2 3,772.9 kB11,941.0 kB [list of files]
arm64 5.2.3-1+b2 3,543.3 kB7,968.0 kB [list of files]
armel 5.2.3-1+b2 4,532.0 kB19,196.0 kB [list of files]
armhf 5.2.3-1+b2 3,458.0 kB9,052.0 kB [list of files]
i386 5.2.3-1+b2 2,504.1 kB9,286.0 kB [list of files]
mips64el 5.2.3-1+b2 4,065.0 kB8,967.0 kB [list of files]
ppc64el 5.2.3-1+b2 3,833.1 kB8,288.0 kB [list of files]
riscv64 5.2.3-1+b2 4,216.4 kB8,515.0 kB [list of files]
s390x 5.2.3-1+b2 3,649.6 kB8,611.0 kB [list of files]