Impurities / Documentation

[joselado]

Impurities / Documentation

[joselado]

Hi srigas,

thank you for your message and for the kind feedback! It is great to hear that you found the software useful.

Thanks for the comment about the documentation. Having an in-depth documentation is certainly something on the to do list. The way the code is thought now is that the functionality is shown with examples in the examples folder, and there are also more detailed demonstration with Jupyter notebooks here
https://github.com/joselado/jyvaskyla_summer_school_2022
Having a detailed documentation would be great in the future. I can let you know once all the major development has stopped, so that writing some detailed documentation could be a nice next step.

Regarding the impurities. Currently there is no specific module to work with impurities, but one needs to add as many as you want by hand to the Hamiltonian. This can be done both for periodic systems as well as for embedding objects. In principle with the current functionality one can add as many impurities as you want, yet of course it may be interesting to have a systematic library to do this in the future.

Thanks again for the comments and the feedback!

Best regards,
Jose