You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
|
|
|
|
# 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
|
