5.38.1. xc.gga_x_pbe.gga_x_pbe

eminus.xc.gga_x_pbe.gga_x_pbe(n, mu=0.2195149727645171, dn_spin=None, **kwargs)[source]

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

Corresponds to the functional with the label GGA_X_PBE and ID 101 in Libxc.

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

Parameters:

n – Real-space electronic density.

Keyword Arguments:

  • mu – Functional parameter.

  • dn_spin – Real-space gradient of densities per spin channel.

  • **kwargs – Throwaway arguments.

Returns:

PBE exchange energy density, potential, and vsigma.