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ELK+Jefimenko

• Download zip file.
• This package is time-dependent density functional theory (TDDFT) package ELK extended to include computation of spin and charge currents, as well as electromagnetic radiation by the latter via the Jefimenko solution of Maxwell equations in approximation where backaction of radiation onto its sources can be neglected. If you use our TDDFT+Jefimenko package to produce a scientific paper, you must cite in that paper:
  • A. Kefayati and B. K. Nikolić, Origins of electromagnetic radiation from spintronic terahertz emitters: A time-dependent density functional theory plus Jefimenko equations approach, Phys. Rev. Lett. 133, 136704 (2024). [PDF]
  • J. K. Dewhurst, K. Krieger, S. Sharma, E. K. U. Gross, An efficient algorithm for time propagation as applied to linearized augmented plane wave method, Comput. Phys. Commun. 209, 92 (2016). [PDF]
• If you need substantial help to start using it, you should also add helper from our group as the co-author.

TDNEGF+LLG

• This package offers self-consistent quantum-classical hybrid calculations where time-dependent nonequilibrium Green's functions describe quantum electrons which interact with classical spins described by the Landau-Lifshitz-Gilbert equation. If you use our package to produce a scientific paper, you must cite in that paper:
  • M. Petrović, B. S. Popescu, U. Bajpai, P. Plecháč, and B. K. Nikolić, Spin and charge pumping by current-driven magnetic domain wall motion: A self-consistent multiscale time-dependent quantum-classical hybrid approach, Phys. Rev. Applied 10, 054038 (2018).
  • U. Bajpai and B. K. Nikolić, Time-retarded damping and magnetic inertia in the Landau-Lifshitz-Gilbert equation self-consistently coupled to electronic time-dependent nonequilibrium Green functions, Phys. Rev. B 99, 134409 (2019). [PDF]
• If you need substantial help to start using it, you should also add helper from our group as the co-author.