5.40. xc.gga_x_pbeΒΆ

Perdew-Burke-Ernzerhof GGA exchange.

Reference: Phys. Rev. Lett. 77, 3865.

Functions

gga_x_pbe

Perdew-Burke-Ernzerhof parametrization of the exchange functional (spin-paired).

gga_x_pbe_spin

Perdew-Burke-Ernzerhof parametrization of the exchange functional (spin-polarized).

pbe_x_base

Base PBE exchange functional to be used in the spin-paired and -polarized case.