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["Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>]

> Hi dear all,
>

 Dear Yu,

 The answer to your question is reported in the first GW tutorial
 at the end of Section 9:

"Finally, it is in principle possible to calculate a full band plot of a
system. This is a very cumbersome calculation, above all for the fact that
there is still not enough automatization at the actual state of the code.
The way to perform a full band plot is by shifting the k-point grid where
the convergence has been achieved, such as to cover all the desired
k-point positions to be reported in the band plot. A simplification can
also be represented by the fact that the GW corrections are quite linear
with the energy."

 Regards,
 Matteo Giantomassi

> I want to plot the band structure through a specified direction in
> k-space. but
> in the 2nd step. If I give the k-points along this direction manually in
> the
> 2nd step (Calculation of KSS file), it will report error ( cchi0 : ERROR -
> kp=k-q-G0 not found). If I use a shifted mesh, there would be no problem.
> But
> if I want to scan more k-points in some region, I have to increase the
> mesh
> grid to 32x32x32 in order to include all the k-points I'm interested in,
> but
> it will make the calculation too slow.
>
> So my question is how I can plot the band-structure with GW?
>
> Thanks a lot!!
>
> Yu Zhou
> Dept. of Phys.
> Rensselaer Polytechnic Institute
>