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Testing for grogu
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README.md

Relativistic magnetic interactions from non-orthogonal basis sets

TODO

  • Definition of magnetic entities:
    • Through simple sequence o forbitals in the unit cell
    • Through atom specification
    • Through atom and orbital specification
  • Separation of TR and TRB components of the Hamiltonian, Identification of the exchange field.
  • Definition of commutator expressions, old projection matrix elements
  • Efficient calculation of Green's functions
  • Calculation of energy and momentum resolved derivatives
  • Parallel BZ and serial energy integral