Dear all:
I'm wondering if it's possible to calculate DOS projected on certain localized molecular orbital using vasp,
say,the sigma_g bonding orbital of H2 when it's adsorbed on Au(111) surface. Any comment is highly appreciated!
<span class='smallblacktext'>[ Edited ]</span>
Of DOS projected on localized molecular orbital
Moderators: Global Moderator, Moderator
-
yellowice
- Newbie
- Posts: 3
- Joined: Thu Dec 02, 2010 2:35 am
Of DOS projected on localized molecular orbital
Last edited by yellowice on Thu Jul 14, 2011 1:33 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Of DOS projected on localized molecular orbital
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