5.11.5. gth.init_gth_nonloc

eminus.gth.init_gth_nonloc(atoms, gth)

Initialize parameters to calculate non-local contributions of GTH pseudopotentials.

Adapted from https://github.com/f-fathurrahman/PWDFT.jl/blob/master/src/PsPotNL.jl

Reference: Phys. Rev. B 54, 1703.

Parameters:

• atoms – Atoms object.

• gth – GTH object.

Returns:

NbetaNL, prj2beta, and betaNL.