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560 B
560 B
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