[QE-users] How to get Bands of Specific Orbitals (Orbital Contribution)

Stephen Zhang lolzen at berkeley.edu
Sun Sep 6 21:23:14 CEST 2020


Hi Everyone,

I'm trying to replicate the results of example 2 in the
user/qe-6.5/PP/examples/example02/reference. While I successfully plotted
the fermi surface following the directions of README, can anyone please
help me figure out how they plotted the band structures of specific
orbitals (attached is the graph I'm trying to recreate). In the graph, they
managed to show the density of states (via color gradient), the band
structure, as well as the bands associated with each orbital (for Nickel,
they show the band structure for s and d orbitals). If anyone had
experience making this graph, I'd really appreciate any help you can give
me with this.

Thank you so much,
Stephen


-- 
*University of California, Berkeley*
*Department of Letter and Sciences*
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