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Re-add support for the Mueller kpoint scheme

Open Andrew-S-Rosen opened this issue 2 years ago • 1 comments

In older versions of Pymatgen, there was a pymatgen.ext.jhu utility that would allow for generation of kpoints using the scheme from Mueller but it required access to a server (which is maybe why it was removed?).

As shown here https://gitlab.com/muellergroup/k-pointGridGenerator there is a way to generate these kpoints without the server (but with an optional dependency). It would be a nice feature to add one day. Maybe if I discover some free time.......... logging the idea here anyway.

Andrew-S-Rosen avatar May 08 '23 13:05 Andrew-S-Rosen

Yup it was removed because the server was far too fragile. Would be happy to have it back as an optional dependency.

shyuep avatar May 08 '23 13:05 shyuep