how many atoms or electrons can yambo process

[damao4361556]

Hi Daniele

I have a concern regarding the maximum atoms or electrons can yambo process?

I understand that this concern is relevant to the computational capability of our cluster. Despite this, I am still curious about this point, and we need to take the size of the model into consideration when we know it.

In addition, the yambo code can be used for cluster model as well, right?
But for the cluster model, one Gamma point is usually enough?
In this regard, is it necessary to use a uniform k point to do the convergence test?

thanks

[Daniele Varsano]

Dear Eric
there is not a max number as you say it depends on your computational power.
Finite systems do not need k point sampling and wirh gama only you can afford systems in the order oh hundreds electrons.
Best
Daniele