Hi,
I'm trying to model interfacial reactions between oxides and liquid water using molecular dynamics. I wonder if it is needed to correct for dipole moment in such simulation. Does one really need to set IDIPOL=3 here?
Any help is appreciated!
Oxide / liquid water interface
Moderators: Global Moderator, Moderator
-
Neutrino
Oxide / liquid water interface
Last edited by Neutrino on Sat Jun 02, 2012 3:29 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Oxide / liquid water interface
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP