5.40.3. xc.gga_x_pbe.pbe_x_base¶
- eminus.xc.gga_x_pbe.pbe_x_base(n, dn, mu=0.2195149727645171, **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.
dn – Real-space gradient of densities per spin channel.
- Keyword Arguments:
mu – Functional parameter.
**kwargs – Throwaway arguments.
- Returns:
PBE exchange energy density, potential, and vsigma.