NEB vaspsol
Posted: 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