Extremely tight phonon k-point mesh

[materialsproject]

Extremely tight phonon k-point mesh

[JaGeo]

Thanks for the suggestions!

Switching to reciprocal_density sounds very resonable and I actually follow a similar strategy when optimizing the phonons by hand. However, PbTe would potentially be a compound, for example, where one might need such a high number of kpoints, if I remember correctly.

Maybe, we should again do around 10 test computatations for smaller and larger compounds? I am not sure I will have time for it immediately. (I am currently again working on the Lobster schema. I realized several points I would like to improve with regard to usability of the outputs while thinking about a potential tutorial ...).

[JaGeo]

Overall, I agree that this setting is on the very tight side. I will talk with the people using the code in my group (currently with less tight k-point settings 😅) to make more tests. Potentially also more improvements on the schema are needed when would like go towards the quasi-harmonic approximation.