Yambo Community Forum

Good morning,

I am calculating the GW gap of some systems, which are quite big so calculations take a while also with parallelization. The convergence of k-point is thus quite difficult so I was reading some threads and I have the following questions:

1) The convergence of the k-point mesh should be independent of the convergence of bands etc. So, could it be done with lower parameters and not the converged ones in order to have faster results?

2) Could I calculate the GW gap with less dense meshes and then extrapolate the results in denser meshes?

Dear Laura,

the answer is yes to both your questions.
About extrapolation, of course the finer the grid you are ale to calculate the smaller will be the error of the extrapolation.

Best,
Daniele