[gpaw-users] Printing Final Energy of an Optimization

[Ferguson, Glen A.]

One more question before I learn how to restart a job. Is it possible to get the final energy of an optimization to print? I'm reading the ase.optimize.optmize class and the the ase.optimize.bfgs class but I can't find a variable or function that would allow the final energy to be printed. I could use the atoms.get_potential_energy() function but it looks like this would recalculate the energy which is a waste of processor time. Is there an easy why to do this?

Thanks,
Glen Ferguson
Material Science Division
Argonne National Lab