Tutorials all: Difference between revisions
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These | 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: | These tutorials can be accessed directly from this page of from the side bar. They include different kind of subjects: | ||
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== Basic == | == Basic == | ||
* [[First steps: a walk through from DFT to optical properties]] (modular tutorial) | |||
* [[Silicon|GW on bulk silicon]] | * [[Silicon|GW on bulk silicon]] | ||
* [[GW on h-BN (standalone)|GW on h-BN]] (standalone version); [[How to obtain the quasi-particle band structure of a bulk material: h-BN|GW on h-BN]] (modular version) | |||
* [[LiF|BSE in lithium-floride]] | * [[LiF|BSE in lithium-floride]] | ||
* [[How to analyse excitons]] | |||
== More on GW and Quasi-particles == | == More on GW and Quasi-particles == | ||
* [[Real_Axis_and_Lifetimes|Real Axis and Lifetimes]] | * [[Real_Axis_and_Lifetimes|Real Axis and Lifetimes]] | ||
* [[Self-consistent GW on eigenvalues only]] | * [[Self-consistent GW on eigenvalues only]] | ||
* [[GW tutorial on HPC]] | * [[GW parallel strategies|GW parallel strategies v1]]; [[GW parallel strategies CECAM|GW parallel strategies v2]]; [[Pushing convergence in parallel|GW convergence in parallel]] (modular tutorials) | ||
* [http://www.attaccalite.com/gw-correction-on-an-arbitrary-point-of-the-brillouin-zone GW on arbitrary k point] (tutorial | * [[GW tutorial on HPC]] (external tutorial on HackMD) | ||
* [[Quasi-particles and Self-energy within the Multipole Approximation (MPA)]] | |||
* [http://www.attaccalite.com/gw-correction-on-an-arbitrary-point-of-the-brillouin-zone GW on arbitrary k point] (external tutorial on www.attaccalite.com) | |||
* [[SOC|Spin-orbit coupling in GaSb]] | * [[SOC|Spin-orbit coupling in GaSb]] | ||
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* [[Hydrogen chain|TDDFT Failure and long range correlations]] | * [[Hydrogen chain|TDDFT Failure and long range correlations]] | ||
* [[SOC|Spin-orbit coupling in GaSb]] | * [[SOC|Spin-orbit coupling in GaSb]] | ||
* [[The magneto-optical Kerr effect|The magneto-optical Kerr effect in bulk iron]] | * [[The magneto-optical Kerr effect|The magneto-optical Kerr effect in bulk iron, RPA]] | ||
* [[Dichroism in molecules]] | * [[The magneto-optical Kerr effect including excitonic effects|The magneto-optical Kerr effect in XXX, excitonic effects]] (todo) | ||
* [[Dichroism in molecules]] | |||
* [[Surface spectroscopy]] (to restore from older version) | * [[Surface spectroscopy]] (to restore from older version) | ||
* [[Si_Surface|Linear Response of a silicon surface (2D)]] | * [[Si_Surface|Linear Response of a silicon surface (2D)]] | ||
* [http://www.attaccalite.com/speed-up-dielectric-constant-calculations-using-the-double-grid-method-with-yambo/ Speed up dielectric constant calculations using the double-grid method] (to be imported) | |||
* [[Si_wire|Linear Response from a silicon wire (1D)]] (to restore from old version) | * [[Si_wire|Linear Response from a silicon wire (1D)]] (to restore from old version) | ||
* [[H2|H2 molecule: Linear Response & TDDFT (0D)]] (to restore from old version) | * [[H2|H2 molecule: Linear Response & TDDFT (0D)]] (to restore from old version) | ||
* [[SiH4|SiH4: isolated molecule TDDFT & BSE (0D)]] ( | * [[SiH4|SiH4: isolated molecule TDDFT & BSE (0D)]] (restored from old version, still to be finalized) | ||
== Post Processing with ypp == | == Post Processing with ypp == | ||
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* [[Phonon-assisted luminescence by finite atomic displacements]] | * [[Phonon-assisted luminescence by finite atomic displacements]] | ||
* [[Exciton-phonon coupling and luminescence]] | * [[Exciton-phonon coupling and luminescence]] | ||
== Real time & Non linear response == | == Real time & Non linear response == | ||
* [[Linear response using Dynamical Berry Phase]] | === Linear response === | ||
* [[Linear response in velocity gauge]] | * [[Linear response from real time simulations (density matrix only)|Linear response using the density matrix (IP)]] | ||
* [[Linear response from real time simulations]] | * [[Linear response using Dynamical Berry Phase|Linear response using wave-functions and Dynamical Berry Phase (IP)]] | ||
* [[Linear response in velocity gauge|Linear response using wave-functions and in velocity gauge (IP)]] | |||
* [[Real time Bethe-Salpeter Equation (density_matrix_only)|Linear response using the density matrix (TD-HSEX)]] | |||
* [[Linear response from real time simulations|Linear response from real time simulations (IP & TD-HSEX)]] (modular tutorial) | |||
=== Non-Linear response === | |||
* [[Real time approach to non-linear response (SHG)]] | * [[Real time approach to non-linear response (SHG)]] | ||
* [[Correlation effects in the non-linear response]] | * [[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)]] | * [[Third Harmonic Generation (THG)]] | ||
* [http://www.attaccalite.com/lumen/spin_orbit.html Spin-orbit coupling and non-linear response] (tutorial | * [http://www.attaccalite.com/lumen/spin_orbit.html Spin-orbit coupling and non-linear response] (external tutorial on www.attaccalite.com) | ||
* [[Two-photon absorption]] | * [[Two-photon absorption]] | ||
* [[ | * [[Sum frequency generation]] | ||
* [[Shift current]] | |||
* [[Parallelization for non-linear response calculations]] | * [[Parallelization for non-linear response calculations]] | ||
=== Pump and Probe experiments === | |||
* [[Nonequilibrium absorption in bulk silicon|Pump and Probe: Transient Absorption from BSE with NEQ occupations]] | |||
* [[Pump and Probe|Pump and Probe: Transient Absorption from real time propagation with pump and probe]] | |||
* [[Pump and Probe: Time resolved ARPES|Pump and Probe: Time resolved ARPES from real time propagation with pump]] | |||
== Developing Yambo == | == Developing Yambo == | ||
Latest revision as of 11:03, 26 May 2025
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
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