Oh. And!

https://pubs.rsc.org/en/content/articlelanding/2022/nj/d2nj04737c

Casually building on work that I did around 10 years ago before, and during, my PhD.

I'm quite amazed that things are still being published as a result of calculations that I did so long ago.

Happily, this is one of the projects where I actually properly structured my directories and input / output file names! Even the .cub files had informative names!