5.7.9. dft.get_n_total¶
- eminus.dft.get_n_total(atoms, Y, n_spin=None)[source]¶
Calculate the total electronic density.
Reference: Comput. Phys. Commun. 128, 1.
- Parameters:
atoms – Atoms object.
Y – Expansion coefficients of orthogonal wave functions in reciprocal space.
- Keyword Arguments:
n_spin – Real-space electronic densities per spin channel.
- Returns:
Electronic density.