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

[Paolo Giannozzi]

That graph is generated by script
qe-6.5/PP/examples/projected_bands_example/run_example using gnuplot

Paolo

On Sun, Sep 6, 2020 at 9:23 PM Stephen Zhang <lolzen at berkeley.edu> wrote:

> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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