Hi Axel,
Would it be possible to allow for k-point generation that only attempts to match the KPPRA to k-meshes of the type [ x y 1 ]? Since I’m doing surface calculations, the utilization of more than 1 k-point in the b3 reciprocal lattice direction is not only a waste, it also means the b1 and b2 directions are not being equally treated across cell sizes (and in some cases under-sampled).
I could probably take care of this myself, but the "kmesh" file appears to be pre-compiled. Nonetheless, I’m hoping this is an easy feature to add.
As usual, I really appreciate your efforts on this, Axel. Thank you so much!
Greg