Materials-Consortia / optimade-tutorial-exercises

Tutorial exercises for the OPTIMADE API
https://optimade.org
MIT License
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Update demonstration-pymatgen-for-optimade-queries.ipynb #18

Open JPBergsma opened 1 year ago

JPBergsma commented 1 year ago

When executing this part of the notebook, I got an error message: "spglib: Too many lattice symmetries was found." By setting the angle tolerance, this error message ca be avoided.

I also get the error No point group was found (line 405, /project/src/pointgroup.c) but I am not sure whether I can simply reduce the tolerance here or that every structure should have a point group.