5.39.2. xc.gga_x_pbe_sol.gga_x_pbe_sol_spin

eminus.xc.gga_x_pbe_sol.gga_x_pbe_sol_spin(n, zeta, **kwargs)[source]

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

Corresponds to the functional with the label GGA_X_PBE_SOL and ID 116 in Libxc.

Reference: Phys. Rev. Lett. 100, 136406.

Parameters:

  • n – Real-space electronic density.

  • zeta – Relative spin polarization.

Keyword Arguments:

**kwargs – Throwaway arguments.

Returns:

PBEsol exchange energy density, potential, and vsigma.