5.12.3. gth.eval_proj_G

eminus.gth.eval_proj_G(psp, l, iprj, Gm, Omega)[source]

Evaluate GTH projector functions in G-space.

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

Reference: Phys. Rev. B 54, 1703.

Parameters:

  • psp – GTH parameters.

  • l – Angular momentum number.

  • iprj – Nproj_l index.

  • Gm – Magnitude of G-vectors.

  • Omega – Unit cell volume.

Returns:

GTH projector.