Lucy Whalley

Hi @ebezzam - yes, it sounds like you can make a valuable contribution - I will add you to the reviewers list - thank you!

@editorialbot add @ebezzam as reviewer

Great, thank you @taladjidi!

@editorialbot add @taladjidi as reviewer

Excellent, @ebezzam @taladjidi - I have added you as reviewers, thank you for agreeing to review this submission to JOSS ⭐ If you haven't reviewed for JOSS before, you can...

@editorialbot start review

Hello, I will look into providing this via the ASE interface. Please can you provide me with the quantum espresso input (including crystal structure) and output files (including eigenstate energies,...

There are some links to the related literature in the README. In particular, there is a link in the repository README to a paper published in PRB (https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.085207). This outlines...

Of course. Here is a good place for that exchange. Best, Lucy

Hi @derLeere can you let us know which version of fhi-aims and effmass you are using? @MatthiasGolomb do you know which version of fhi-aims effmass is compatible with - I'm...