convergence problem
Posted: Thu Oct 18, 2012 1:29 pm
I met some convergence problem.
I put a CO molecular on the Rh111 top site. I find that the CO always
vibrates along the z axis. So the structure converged very slowly. But with the same INCAR, others adsorption structures (even more complex structure which can converge more quickly)
I thought the convergence process may be related to the structure.
what can I do to accelerate the convergence process.
thank you in advance.
I put a CO molecular on the Rh111 top site. I find that the CO always
vibrates along the z axis. So the structure converged very slowly. But with the same INCAR, others adsorption structures (even more complex structure which can converge more quickly)
I thought the convergence process may be related to the structure.
what can I do to accelerate the convergence process.
thank you in advance.