Tutorials modular
These tutorials are designed to provide a deeper understanding of specific yambo tasks and runlevels. They are designed to avoid repetition of common procedures and physical concepts. As such, they make use of the same physical systems: bulk hexagonal boron nitride hBN and a hBN sheet hBN-2D.
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
- How to obtain the quasi-particle band structure of a bulk material: h-BN
More GW and Quasi-particles
This modules contains very general discussions of the parallel environment of Yambo. Still the actual run of the code is specific to the CECAM cluster. If you want to run these modules just replace the parallel queue instructions with simple MPI commands.
- Parallel GW (CECAM specific): strategies for running Yambo in parallel
- GW_parallel_strategies_CECAM
- GW convergence (CECAM specific): use Yambo in parallel to converge a GW calculation for a layer of hBN (hBN-2D)
More on Linear Response and BSE
- Calculating optical spectra including excitonic effects: a step-by-step guide
- Obtaining a converged optical spectrum
- Many-body effects in low-dimensional systems: numerical issues and remedies
- Analysis of excitonic spectra in a 2D material
Yambopy
- First steps in Yambopy
- GW tutorial. Convergence and approximations (BN)
- Bethe-Salpeter equation tutorial. Optical absorption (BN)
- Database and plotting tutorial for quantum espresso: qepy
- Database and plotting tutorial for yambo: yambopy
Modules
Alternatively, users can learn more about a specific runlevel or task by looking at the individual documentation modules. These provide a focus on the input parameters, run time behaviour, and underlying physics. Although they can be followed separately, non-experts are urged to follow them as part of the more structured tutorials given above.