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error while creating NEB images

Posted: Sun Jun 04, 2023 6:22 am
by Ankita
Dear Professor,
I am trying to create images of K adsorption between my intial and final structure using nebmake.pl script, but images are moving in opposite direction. Will you please look into this? I am attaching the required files.

Re: error while creating NEB images

Posted: Sun Jun 04, 2023 7:06 am
by Ankita
I am observing similar error with this system also. Kindly look into it.

Re: error while creating NEB images

Posted: Mon Jun 05, 2023 1:53 am
by graeme
It looks fine to me; perhaps your visualizer is showing atoms jumping due to the periodic images?

Re: error while creating NEB images

Posted: Mon Jun 05, 2023 6:03 am
by Ankita
Thank you. I will look into it.