Hello Prasad,
it is the scf calculation that is not convergence, the fact that you are
doing a "relax" is not relevant in this case. Because you are using
DFT+U, this is unfortunately often the case. The usual reccomendations
apply:
Dear users,
I am studying the properties of Ilmenite using Quantum Espresso 7.2. I have
performed a relax calculation for the ilmenite structure but after 400
iterations convergence is not achieved. I have restarted those calculations
again but have not achieved convergence.
I have attached the
