How was X23 Plot calculated?

[tkreiman]

Could you provide some reference on the data and how the x23 plot was generated (Fig. 54)? Thanks for the help.

[ilyes319]

Hello,
We used the X23 dataset: https://pubs.rsc.org/en/content/articlelanding/2019/cp/c9cp04488d, to compute the energy difference between the isolated molecule and the corresponding molecular crystal. Then we reported to error wrt to the ground truth.