5.37.1. xc.gga_c_pbe.gga_c_pbe

eminus.xc.gga_c_pbe.gga_c_pbe(n, dn_spin, beta=0.06672455060314922, **kwargs)[source]

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

Corresponds to the functional with the label GGA_C_PBE and ID 130 in Libxc.

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

Parameters:

  • n – Real-space electronic density.

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

Keyword Arguments:

  • beta – Functional parameter.

  • **kwargs – Throwaway arguments.

Returns:

PBE correlation energy density, potential, and vsigma.