5.38.3. xc.gga_x_pbe.pbe_x_base

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

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

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

Parameters:

n – Real-space electronic density.

Keyword Arguments:
  • mu – Functional parameter.

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

  • **kwargs – Throwaway arguments.

Returns:

PBE exchange energy density, potential, and vsigma.