5.7.7. dft.get_n_single

eminus.dft.get_n_single(atoms, Y, ik)[source]

Calculate the single-electron densities.

Parameters:

  • atoms – Atoms object.

  • Y – Expansion coefficients of orthogonal wave functions in reciprocal space.

  • ik – k-point index.

Returns:

Single-electron densities.