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MEPs calculations with NEB

Posted: Sun Jun 04, 2006 5:43 am
by dwyuan
I have obtained a MEP with several imganes.
I want to use interpolation method to saddle point
energy, but I don't know how to determine reaction coordinate's scale. Can I use the image's distance
in the OUTCAR file ?

Thanks in advance !

Re: MEPs calculations with NEB

Posted: Wed Sep 11, 2024 1:28 pm
by support_vasp

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