[Wannier] characters of the bands in Wannier90

[Gianluca Giovannetti]

Dear Jonathan,

it is working.... :-)

thank you.

Gianluca

On Wed, Sep 1, 2010 at 11:48 AM, Jonathan Yates <
jonathan.yates at materials.ox.ac.uk> wrote:

>
> On 1 Sep 2010, at 09:01, Gianluca Giovannetti wrote:
>
> > Dear All,
> >
> > i would like to visualize the characters of the bands after the procedure
> of wannierization.
> >
> > this means that if i`m projecting bands into d orbitals
> (z2-r2,xy,xz,yz,x2-y2) during the minimization of the spread then i would
> like to visualize the bands along BZ with k-points corresponding to  the
> different types of d orbitals.
> >
> > i tried with BANDS_PLOT_PROJECT into file.win but i believe it is just
> giving me the d character without separating into (z2-r2,xy,xz,yz,x2-y2).
>
> Gianluca,
>
>  In one run you can project onto a single WF or a subset of the WF.
>
> So if WF 1 has z2-r2 symmetry then
>  bands_plot_project : 1
> will give the projection onto this WF.
>
>  bands_plot_project : 1 2 3
>  will give you the projection onto the set of three WF, not 3 individual
> projections.
>
>  So if you want to get the contributions from each of the WF in turn you'll
> need to do multiple runs (use continuation : plot)
>
>
>  Hope this helps.
>
>
>  Jonathan
>
>
>
>
>
> --
> Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH,
> UK
> tel: +44 (0)1865 612797                http://users.ox.ac.uk/~oums0549/<http://users.ox.ac.uk/%7Eoums0549/>
>
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