[Wannier] Finding orbital contributions to a single band

[E. H. Smith]

This worked. Thanks!

On Wed, Sep 26, 2012 at 4:12 PM, Ivo Souza <ivo_souza at ehu.es> wrote:

> I think the flag bands_plot_project may do the trick for you. Basically,
> it gives the weight (between 0 and 1) of the specified WFs on the energy
> eigenstates, as a color code in the dispersion plot. Example 4 in the
> wannier90 distribution shows how it works.
>
>   Best,
>
>   Ivo
>
>
> On Wed, 26 Sep 2012, E. H. Smith wrote:
>
>  Hello,
>>
>> I am studying compounds that all have a single band that corresponds to
>> an antibonding
>> orbital between an Pb s orbital and a F p orbital. Under certain
>> conditions, the Pb p
>> orbital can mix into this band as well. I want to see what the
>> contribution to this band
>> from the Pb p orbital is.
>>
>> I think I use hr_plot to find the overlaps between the Wannier orbitals,
>> yes? How do I
>> selectively only examine the overlaps that contribute to a single band?
>>
>> Thanks,
>> E Smith
>>
>>
>>
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