Tutorials

A simple example: SrVO3

• DFT (Wien2k) and Wannier orbitals
  • DFT setup
  • Wannier orbitals
• The DMFT calculation
  • Loading modules
  • Initializing SumkDFT
  • Initializing the solver
  • DMFT cycle
  • Tail fit parameters

Full charge self consistency with Wien2k: \(\gamma\)-Ce

• DFT+DMFT tutorial: Ce with Hubbard-I approximation
  • Wien2k setup
  • Wannier orbitals: dmftproj
  • DMFT setup: Hubbard-I calculations in TRIQS
  • Fully charge self-consistent DFT+DMFT calculation
  • Post-processing and data analysis