I'm sorry to wrongly put the same thread on the bugreports. I don't know how to delete the thread. Can th administrator help me to delete the thread?
My question:
I have read the manual and searched the forum and found two very related threads:
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?4.1492
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?4.264
The helpful people ususally gave similar definition as that in manual. But as a newbie, I really don't know how to find/calculate the "center of the ionic contribution to the dipole moment in the cell". Can anyone give me some references/formulas to do it? The simple examples are more appreciable. In addition, my calculation contains hundreds of atoms in a cell. Is there any trick to easily find the DIPOL setting?
Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
Moderators: Global Moderator, Moderator
-
chemknight
- Newbie
- Posts: 2
- Joined: Fri Jul 03, 2009 8:39 am
Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
Last edited by chemknight on Mon Mar 08, 2010 3:39 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
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