Dear users;
I have been trying to understand if is it possible to constrain the distance between certain atoms during structural optimization in vasp 5.2. Or is it possible to use ICONST file with IBRION 3 option to be able to keep the distance fixed ? I am really confused how can I achieve constrained optimization?
I am looking forward to hearing your advices.
best regards;
ipek
constrained distance during structurl optimization
Moderators: Global Moderator, Moderator
-
ipek
- Newbie
- Posts: 1
- Joined: Mon Sep 01, 2014 7:32 pm
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: constrained distance during structurl optimization
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