Continuing NEB with CI-NEB
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Continuing NEB with CI-NEB
Basic question, if I turn on LCLIMB on an already converged NEB calculation, it will finish after a single iteration because the forces are converged. Is there a way to force the climbing mode? Should I just lower the convergence criteria? Thanks.
Re: Continuing NEB with CI-NEB
No, it shouldn't, since the force on the climbing image will be different (and non-zero) when you turn on LCLIMB. Just turn on LCLIMB and let it reconverge.