<div dir="ltr">Hello, I've noticed for a few RUN_TYPE GEO_OPT calculations even though the SCF did not converge (reached MAX_SCF=500 iteration set), since the convergence criteria was met the geometry optimization was complete. I've worked with Turbomole and Gaussian and in those programs if the SCF doesn't converge within the MAX_SCF iteration I've set, the calculation will terminate without continuing the optimization. I find it strange that even if the SCF has failed CP2K gives an output that represents what you'd see in a normal termination. I found this to be the case for a few RUN TYPE ENERGY calculations as well. Would anyone be able to explain why this is the case? I've attached an example input and output. Thanks, Natalie </div>