error while creating NEB images

Vasp transition state theory tools

Moderator: moderators

Post Reply
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.
Attachments
K_ads.zip
(3.18 KiB) Downloaded 573 times
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.
Attachments
Ca_neb_images.zip
(2.73 KiB) Downloaded 549 times
graeme
Site Admin
Posts: 2260
Joined: Tue Apr 26, 2005 4:25 am
Contact:

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.
Post Reply