Geometry Optimization

[theodorewynter]

I am carrying out a Geometry Optimization on a particular material. Is there a way to find out if the structure is relaxed (no imaginary  frequencies) without the phonon band structure analysis?

[Petr Khomyakov]

You have to see in the log file how stress, forces and total energy evolves during geometry optimization. In QuantumATK, geometry optimization drives the system to minimum energy. It might be a local minimum so, but not a saddle point.