times-software / OCEAN

BSE code for core spectroscopy
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Spin-orbit in the conduction/valence bands #181

Open jtv3 opened 7 years ago

jtv3 commented 7 years ago

Adding in the ability to have (perturbative) spin-orbit in the valence and conduction bands. Should only need a couple things, and should follow the core-level version fairly closely. One exception is that the valence/conduction will have multiple orbitals per l,m.

Need:

  1. Calculation of spin-orbit coupling on the OPFs
  2. New part of BSE Hamiltonian to carry out the interaction

Related to #13 ?