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Continuing NEB with CI-NEB

Posted: Thu Jan 02, 2014 3:10 am
by ng00822
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

Posted: Thu Jan 02, 2014 3:24 am
by graeme
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.