Consider renaming repository to `slme`

[mbercx]

I was recently contacted by @luqmansaleem99 to help him with calculating the SLME. He seems to have since found this repository and already raised an issue.

It's been a while, but looking back, I seem to have forked and made quite substantial changes to the code base some 5 years ago, when I was working on the topic with Kamal Choudary (not sure what his GitHub username is) on our paper:

https://github.com/mbercx/SL3ME

I never integrated these changes into the main repository though. 😅 @ldwillia if you're ok with it, I'll clean up the code some more (can't work on this too much I'm afraid) and open a PR.

On the topic of the issue I'm raising: I'm wondering if perhaps we shouldn't rename the repository to slme? It should still be easy to find, capital letters are kind of a no-no in my book, and then we can also just grab slme on the PyPI (it doesn't seem taken) and make the package installable with pip.

[mbercx]

Interesting. I completely forgot about this, but I seem to have reimplemented a lot of this in one of my own packages:

https://github.com/mbercx/vsc-workflows/blob/master/vscworkflows/tools/optics.py

Which I actually used in the analysis for my thesis, see:

https://github.com/mbercx/phd-thesis/blob/master/jupyter/slme/cuau-likes.ipynb

Obviously all that code is currently completely unfindable. Would be better to have it all in this repo, I think.

[ldwillia]

Hello @mbercx , sorry for the late reply!

I'd be happy to pull in any improvements you have made to the code. I'm a bit hesitant to rename the repository though. I wouldn't want it to disappear from anyone's workflow due to a name change. Maybe we could make a copy at the other name and have one just sync to the other?

[xiaowangfeng]

@mbercx Hello, I am also currently working on calculating SLME for this. What I would like to ask is how did you realize this calculation, if only the structure of the material (already calculated bandgap).