get_total_energy_per_cell¶

atomate2.common.jobs.phonons.get_total_energy_per_cell(total_dft_energy_per_formula_unit, structure)[source]¶

Job that computes total DFT energy of the cell.

Parameters:

total_dft_energy_per_formula_unit (float) – Total DFT energy in eV per formula unit.
structure (Structure object) – Corresponding structure object.

Return type:

float