dipole correction
Moderators: Global Moderator, Moderator
-
mslee
- Newbie
- Posts: 1
- Joined: Fri Apr 03, 2009 10:43 pm
- License Nr.: jk35QGB7
- Location: East Lansing, Michigan, USA
dipole correction
I am doing a structural relaxation of Pb13Te14 clusters with supercell, where the system has extra electrons. I have done two different calculations, with and without dipole correction. Two calculations give quite different structure; one gives symmetric one and another shows broken symmetry. I dont know which one is reliable. Is there anyone to give some advice? Thank you.
Last edited by mslee on Thu Dec 17, 2009 9:38 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: dipole correction
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