error while creating NEB images

Vasp transition state theory tools

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Ankita
Posts: 3
Joined: Sun Jun 04, 2023 6:13 am

error while creating NEB images

Post 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.
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K_ads.zip
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Ankita
Posts: 3
Joined: Sun Jun 04, 2023 6:13 am

Re: error while creating NEB images

Post by Ankita »

I am observing similar error with this system also. Kindly look into it.
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Ca_neb_images.zip
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graeme
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Re: error while creating NEB images

Post by graeme »

It looks fine to me; perhaps your visualizer is showing atoms jumping due to the periodic images?
Ankita
Posts: 3
Joined: Sun Jun 04, 2023 6:13 am

Re: error while creating NEB images

Post by Ankita »

Thank you. I will look into it.
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