My geometry optimization takes forever… What is wrong?
Perhaps you requested convergence thresholds that are too tight. You may also be dealing with a tricky potential energy surface, where the geometry maybe oscillating between two points. Check the energy at each optimization cycle to see if it is still going down. Also check the optimization convergence thresholds. If you have approached these values and your energy curve looks almost leveled off, you can probably stop the calculation and use the numbers you need from the last step.