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.