To share experience including discussions about scientific questions.
Moderators: Global Moderator, Moderator
-
jess_white
- Newbie
- Posts: 39
- Joined: Tue Jun 11, 2024 11:01 pm
#1
Post
by jess_white » Sat Mar 01, 2025 7:38 am
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
-
ferenc_karsai
- Global Moderator
- Posts: 530
- Joined: Mon Nov 04, 2019 12:44 pm
#2
Post
by ferenc_karsai » Mon Mar 03, 2025 8:59 am
I have moved this question to "from users to users".
-
ferenc_karsai
- Global Moderator
- Posts: 530
- Joined: Mon Nov 04, 2019 12:44 pm
#3
Post
by ferenc_karsai » Mon Mar 03, 2025 9:00 am
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.