5.46.5. xc.lda_xc_gdsmfb.lda_xc_gdsmfb

eminus.xc.lda_xc_gdsmfb.lda_xc_gdsmfb(n, T=0, **kwargs)[source]

GDSMFB exchange-correlation functional (spin-paired).

Similar to the functional with the label LDA_XC_GDSMFB and ID 577 in Libxc, but the implementations differ: https://gitlab.com/libxc/libxc/-/issues/525 Exchange and correlation cannot be separated.

Reference: Phys. Rev. Lett. 119, 135001.

Parameters:

n – Real-space electronic density.

Keyword Arguments:

  • T – Temperature in Hartree.

  • **kwargs – Throwaway arguments.

Returns:

GDSMFB exchange-correlation energy density and potential.