How to use DPLR in CH3-CH2-CH2-CH3 #2426
fengwangxmu
started this conversation in
General
Replies: 0 comments
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Uh oh!
There was an error while loading. Please reload this page.
-
How to use DPLR in CH3-CH2-CH2-CH3?
The main problem in this system is how to assign the wannier centroid for these carbons . Could anyone give me some advices on it?
Beta Was this translation helpful? Give feedback.
All reactions