5.38. xc.gga_x_pbeΒΆ
Perdew-Burke-Ernzerhof GGA exchange.
Reference: Phys. Rev. Lett. 77, 3865.
Functions
Perdew-Burke-Ernzerhof parametrization of the exchange functional (spin-paired). | |
Perdew-Burke-Ernzerhof parametrization of the exchange functional (spin-polarized). | |
Base PBE exchange functional to be used in the spin-paired and -polarized case. |