Orbital symmetry in band structure
Moderators: Global Moderator, Moderator
-
physicalattraction
- Newbie
- Posts: 44
- Joined: Wed May 21, 2008 1:47 pm
- License Nr.: 916
- Location: Eindhoven, The Netherlands
Orbital symmetry in band structure
If I have a band structure calculation, how can I for each (k,E)-point assign the orbital symmetry of that "electron", i.e. the overlap with the s-, p- and d-orbitals?
Last edited by physicalattraction on Wed Apr 15, 2009 7:00 am, edited 1 time in total.
-
giacomo giorgi
- Full Member
- Posts: 122
- Joined: Tue Mar 10, 2009 2:04 am
Orbital symmetry in band structure
I have the same doubt....
Last edited by giacomo giorgi on Thu Apr 23, 2009 7:06 am, edited 1 time in total.
-
hra
- Newbie
- Posts: 14
- Joined: Wed Jun 15, 2005 11:23 am
- Location: Yokohama, Japan
Orbital symmetry in band structure
Any projections you can imagine are printed in the PROCAR
Last edited by hra on Fri Apr 24, 2009 5:02 am, edited 1 time in total.