Estimated opinion on the simulation results

Vasp transition state theory tools

Moderator: moderators

Post Reply
Supracrystal
Posts: 2
Joined: Wed Jun 21, 2023 2:10 pm

Estimated opinion on the simulation results

Post by Supracrystal »

Hello

I am trying to find activation barriers to study the diffusion of interstitial atoms along grain boundaries in iron. If your time permits, could you take a look at the preliminary results and formulate an opinion on how well the simulation was performed. Thanks for your time.
Attachments
nebresults.pl.rar
(90.92 MiB) Downloaded 506 times
graeme
Site Admin
Posts: 2256
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: Estimated opinion on the simulation results

Post by graeme »

It looks good to me; I don't see any problems.
Supracrystal
Posts: 2
Joined: Wed Jun 21, 2023 2:10 pm

Re: Estimated opinion on the simulation results

Post by Supracrystal »

Dear Prof, thank you very much.
Post Reply