Tutorials standalone: Difference between revisions
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== Basic == | == Basic == | ||
* [[Silicon|GW on bulk silicon]] | * [[Silicon|GW on bulk silicon]] | ||
* [GW on h-BN (standalone)| GW computations on practice: how to obtain the quasi-particle band structure of a bulk material]] | * [[GW on h-BN (standalone)| GW computations on practice: how to obtain the quasi-particle band structure of a bulk material]] | ||
* [[LiF|BSE in lithium-floride]] | * [[LiF|BSE in lithium-floride]] | ||
Revision as of 12:39, 15 October 2024
These tutorials are self-contained and cover a variety of mixed topics, both physical and methodological. They are designed to be followed from start to finish in one page and do not require previous knowledge of yambo. 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
- GW on bulk silicon
- GW computations on practice: how to obtain the quasi-particle band structure of a bulk material
- BSE in lithium-floride
More on GW and Quasi-particles
- Real Axis and Lifetimes
- Self-consistent GW on eigenvalues only
- GW tutorial on HPC
- Quasi-particles and Self-energy within the Multipole Approximation (MPA)
- GW on arbitrary k point (tutorial to be imported into the wiki)
- 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
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 using Dynamical Berry Phase
- Linear response in velocity gauge
- Linear response from real time simulations
- Real time approach to non-linear response (SHG)
- Correlation effects in the non-linear response
- 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 (tutorial to be imported into the wiki)
- Two-photon absorption
- Sum frequency generation
- Shift current
- Pump and Probe
- Parallelization for non-linear response calculations
Developing Yambo