Tutorials all

This page contains the full list of available tutorials. These cover a variety of mixed topics, both physical and methodological. Some of these are om "Standalone mode" and are designed to be followed from start to finish in one page. Others have been ported in "Modular form". These are also available under the link Tutorials modular. The tutorials do not require previous knowledge of yambo, unless explicitly specified. Each tutorial requires download of a specific core database, and typically they cover a specific physical system (like bulk GaSb or a hydrogen chain). Ground state input files and pseudopotentials are provided. Output files are also provided for reference.

These tutorials can be accessed directly from this page of from the side bar. They include different kind of subjects:

Warning: These tutorials were prepared using previous version of the Yambo code: some command lines, variables, reports and outputs can be slightly different from the last version of the code. Scripts for parsing output cannot work anymore and should be edited to work with the new outputs. New command lines can be accessed typing yambo -h

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
• How to analyse excitons

More 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)
• Spin-orbit coupling in GaSb

More on Linear response and BSE

• TDDFT Failure and long range correlations
• Spin-orbit coupling in GaSb
• The magneto-optical Kerr effect in bulk iron, RPA
• The magneto-optical Kerr effect in XXX, excitonic effects (todo)
• Dichroism in molecules
• Surface spectroscopy (to restore from older version)
• Linear Response of a silicon surface (2D)
• Speed up dielectric constant calculations using the double-grid method (to be imported)
• Linear Response from a silicon wire (1D) (to restore from old version)
• 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)

Post Processing with ypp

• Yambo Post Processing (ypp)

Electron phonon coupling

• Electron Phonon Coupling
• Optical properties at finite temperature
• Phonon-assisted luminescence by finite atomic displacements
• Exciton-phonon coupling and luminescence

Real time & Non linear response

Linear response

• Linear response using the density matrix (IP)
• Linear response using wave-functions and Dynamical Berry Phase (IP)
• Linear response using wave-functions and 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

• Real time approach to non-linear response (SHG)
• Correlation effects in the non-linear response
• SHG within the TD-aGW level (also called TD-HSEX, TD-BSE)
• A fast approach to excitonic effects in linear/non-linear response
• Angular dependence of non-linear response
• Third Harmonic Generation (THG)
• Spin-orbit coupling and non-linear response (external tutorial on www.attaccalite.com)
• Two-photon absorption
• Sum frequency generation
• Shift current
• Parallelization for non-linear response calculations

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

Developing Yambo

• How to create a new project in Yambo
• How to create a new ypp interface
• Some hints on github