def ParseOSZICAR(OSZICAR):
oszicar = outputs.Oszicar(OSZICAR)
ionic_steps = oszicar.as_dict()['ionic_steps']
electronic_steps = oszicar.as_dict()['electronic_steps']
return oszicar, ionic_steps, electronic_steps
def final_energy(filename='OSZICAR'):
# static_eletronic_potential
oszicar = vaspout.Oszicar(filename)
final_energy = oszicar.final_energy
return final_energy