The ABINIT Users Mailing List ( CLOSED )

[<zhouy6@rpi.edu>]

Hi dear all,

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