Gang Tang

 I agree with your suggestions about this issue. A better solution is shown in the above picture, but it may be difficult to implement this scheme through programming.

## Review checklist for @obaica ### Conflict of interest - [x] I confirm that I have read the [JOSS conflict of interest (COI) policy](https://github.com/openjournals/joss/blob/master/COI.md) and that: I have no COIs...

Hi @rkurchin, I've finished my review. This is an excellent and easy-to-use (e.g., includes a user-friendly command line interface) code that provides new insights for the defect research community. With...

> Can you please let us know what use cases you are most interested, and we can see if we have examples we can add to the repository. Thank you...

> `vasppy` does not currently have any capabilities for processing molecular dynamics. I suggest you look at the [MDAnalysis](https://www.mdanalysis.org) or the `DiffusionAnalyzer` class in [`pymatgen`](https://pymatgen.org/_modules/pymatgen/analysis/diffusion_analyzer.html) as possible alternatives. Thank you...