5.42.1. xc.lda_c_pw.lda_c_pw

eminus.xc.lda_c_pw.lda_c_pw(n, A=0.031091, a1=0.2137, b1=7.5957, b2=3.5876, b3=1.6382, b4=0.49294, **kwargs)[source]

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

Corresponds to the functional with the label LDA_C_PW and ID 12 in Libxc.

Reference: Phys. Rev. B 45, 13244.

Parameters:

n – Real-space electronic density.

Keyword Arguments:

  • A – Functional parameter.

  • a1 – Functional parameter.

  • b1 – Functional parameter.

  • b2 – Functional parameter.

  • b3 – Functional parameter.

  • b4 – Functional parameter.

  • **kwargs – Throwaway arguments.

Returns:

PW correlation energy density and potential.