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Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.

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danielpozsar/grogupy

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Relativistic magnetic interactions from non-orthogonal basis sets

More on the theoretical background can be seen on arXiv.

TODO

  • get automatic emax

  • move tests to src

  • better readme

  • dependency on how we choose the perpendicular directions

  • Use ReadThe Docs addons

  • Document

  • warning for insulators about the fermi level positioning

  • magnopy out lx ly lz?

  • add mesh and converge to batch