- libc6 (>= 2.29)
- libgfortran5 (>= 10)
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.
Installed Size: 8.2 MB
Architectures: arm64 amd64