[Pw_forum] Orbital weight for bandstructure calculation in quantum espresso
L.M J
heysuperming at gmail.com
Tue Mar 8 07:49:08 CET 2016
Dear all
I saw few papers include the orbital weight in their calculated band
structure. For example, certain band energy is contributed by hybridization
from "s & p" orbitals including how much percent of each orbital. Or see
the example page(http://gvallver.perso.univ-pau.fr/?p=587)
It there any way I can extract similar information by using quantum
espresso?
Thanks for advance.
Kind regards,
Liming
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