Yambo Community Forum

Dear Daniele,

I am performing a computation on a large orthorhombic supercell for a 2D system which requires only the gamma point as k-point sampling.

I am concerned about using the ws cutoff as I recall that it works better as we increase the k-point sampling, while here we would have only 1 1 1 as k-point. Do you think it would be a problem or is it still better to use ws with respect to a box cut-off?

Best,

Davide Romanin

Dear Davide,

having k point sampling or large supercell should be equivalent if the supercell is large enough, so cutoff ws should work.
Of course, you will need to check if the supercell is large enough to guarantee the interaction in the relevant range (note that it would be the same using also the box cutoff).

Best,
Daniele