VASP Forum

Posted: **Wed Apr 15, 2009 7:00 am**

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?

Posted: **Thu Apr 23, 2009 7:06 am**

I have the same doubt....

Posted: **Fri Apr 24, 2009 5:02 am**

Any projections you can imagine are printed in the PROCAR

VASP Forum

Orbital symmetry in band structure

Orbital symmetry in band structure

Orbital symmetry in band structure

Orbital symmetry in band structure