Page 1 of 1

NEB vaspsol

Posted: Sat Mar 01, 2025 7:38 am
by jess_white

Hi,

I just have a quick question about NEB calculations. I am wondering if its possible to run VaspSol calculations with NEB calculations such as to compare Eb_k for 35 and 80 to see the impact of the solvation impact and temperature. If VaspSol is not able to be used I wonder if there is a way to add the impact of temperature on activation energy while using the NEB method?

Thanks,

Jess


Re: NEB vaspsol

Posted: Mon Mar 03, 2025 8:59 am
by ferenc_karsai

I have moved this question to "from users to users".


Re: NEB vaspsol

Posted: Mon Mar 03, 2025 9:00 am
by ferenc_karsai

VASPsol is not from us and consequently we can't give you supporting for it.

Let's hope somebody from the users who has experience with it can help you.