Tutorials

Basic

• First steps: a walk through from DFT to optical properties (modular tutorial)
• GW on bulk silicon
• GW on h-BN (standalone version); GW on h-BN (modular version)
• BSE in lithium-floride
• BSE on h-BN (standalone version); BSE on h-BN (modular version);
• How to analyse excitons

Advanced tutorials on GW and Quasi-particles

• Real Axis and Lifetimes
• Self-consistent GW on eigenvalues only
• GW parallel strategies v1; GW parallel strategies v2; GW convergence in parallel (modular tutorials)
• GW tutorial on HPC (external tutorial on HackMD)
• Quasi-particles and Self-energy within the Multipole Approximation (MPA)
• GW on arbitrary k point (external tutorial on www.attaccalite.com)

Advanced tutorials Linear response and BSE

Optical properties and more in extended systems

• Spin-orbit coupling in GaSb
• The magneto-optical Kerr effect in bulk iron, RPA
• The magneto-optical Kerr effect in XXX, excitonic effects (todo)
• Magneto-electric reponse
• Magnons with BSE formalism (todo)
• Bands selection in BSE and application to semi-core states (todo)
• Surface spectroscopy (to restore from older version)
• Fast convergence of dielectric constant with double grid

Optical properties and more in lower dimensional systems (1D/2D)

• TDDFT Failure and long range correlations (1D)
• Linear Response from a silicon wire (1D) (to restore from old version)
• Linear Response of a silicon surface (2D)

Optical properties and more in molecules

• H2 molecule: Linear Response & TDDFT (0D) (to restore from old version)
• SiH4: isolated molecule TDDFT & BSE (0D) (restored from old version, still to be finalized)
• Dichroism in molecules

Post Processing with ypp and YamboPy

• Yambo Post Processing (ypp)
• First steps in YamboPy

Electron-phonon and exciton-phonon coupling

• Electron Phonon Coupling (old tutorial)
• Electron Phonon Coupling (new)
• Optical properties at finite temperature
• Phonon-assisted luminescence by finite atomic displacements
• Exciton-phonon coupling and luminescence
• Thermal lines and special displacements with YamboPy

Real time propagation

Linear response from real time propagation

• Linear response using the density matrix (IP)
• Linear response using wave-functions and Dynamical Berry Phase (IP)
• Linear response using wave-functions in velocity gauge (IP)
• Linear response using the density matrix (TD-HSEX)
• Linear response from real time simulations (IP & TD-HSEX) (modular tutorial)

Non-linear response from real time propagation

• Real time approach to non-linear response (SHG)
• Correlation effects in the non-linear response
• SHG within the TD-HSEX level (also called TD-aGW or TD-BSE)
• Angular dependence of non-linear response
• Third Harmonic Generation (THG)
• Spin-orbit coupling and non-linear response
• Two-photon absorption
• Sum frequency generation
• Shift current

Non-linear response in Floquet formulation

• SHG from Floquet formulation

Pump and Probe experiments

• Pump and Probe: Transient Absorption from BSE with NEQ occupations
• Pump and Probe: Transient Absorption from real time propagation with pump and probe
• Pump and Probe: Time resolved ARPES from real time propagation with pump

More on real time propagation

• Real-time dynamics with external field read from file
• Parallelization for non-linear response calculations
• A fast approach to excitonic effects in linear/non-linear response