Hello,
I'm a new VASP user, and I trying to perform a cNEB calculation for NO formation on Pt(111) surface.
After finishing the regular NEB (converged) calculation. I have been trying to run a cNEB without success for the different systems. I have tried using the force-based optimizers with IBRION=3, and also with IBRION=3, POTIM=0, IOPT=3 (MAXMOVE=0.2, TIMESTEP=0.1) both of them with EDIFFG=-0.05 but the forces are still far away of the convergence criteria.
Any advice that could help me.
Thanks for your help.
Problems with Climbing Image NEB
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Juanda13
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Problems with Climbing Image NEB
Last edited by Juanda13 on Mon Nov 18, 2013 2:34 am, edited 1 time in total.
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support_vasp
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Re: Problems with Climbing Image NEB
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP