GW band-gap calculation

Running Abinit Many-body theory
1

Hello.

For GW calculations, my output files currently show band-gap calculations for 5 k-points. Is it possible to change this number? Additionally, I see that my k-points are increasing by an interval of 0.2 for example:

k-point 1: 0.0 0.0 0.0
k-pojnt 2: 0.2 0.0 0.0
k-point 3: 0.4 0.0 0.0
k-point 4: 0.2 0.2 0.0
k-point 5: 0.4 0.2 0.0

Is it possible to change this interval?

Finally, is it possible to plot the GW band structure?

2

Hi,

You may change the k points by changing your mesh grid (ngkpt) in your input file. To know exactly which ngkpt is suitable for your calculations you should do convergence study over this parameter.

To get the full GW band structure, follow the link below
https://abinit.github.io/abipy/gallery/plot_qpbands_with_scissor.html

Good luck