Difference between revisions of "Tutorials"

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If you have never used {{octopus}} before, then you should start with the [[Tutorial Series:Octopus basics|Octopus basics]] series of tutorials.
 
If you have never used {{octopus}} before, then you should start with the [[Tutorial Series:Octopus basics|Octopus basics]] series of tutorials.
  
The tutorials are also organized by categories that you can browse in case you are interested in some specific type of system, feature, or calculation mode.
+
A complete list of all available tutorials can be found [[:Category:Tutorial|here]]. The tutorials are also organized by categories that you can browse in case you are interested in some specific type of system, feature, or calculation mode.
  
 
''[[MathML error message|Note on MediaWiki error message you may get on some of these pages]]''
 
''[[MathML error message|Note on MediaWiki error message you may get on some of these pages]]''
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* [[Tutorial Series:Optical response|Optical response]] - how to calculate several types of optical response with different methods.
 
* [[Tutorial Series:Optical response|Optical response]] - how to calculate several types of optical response with different methods.
 
* [[Tutorial Series:Model systems|Model systems]] - working with model systems, like quantum dots or quantum wells.
 
* [[Tutorial Series:Model systems|Model systems]] - working with model systems, like quantum dots or quantum wells.
 
=== Others ===
 
* [[Tutorial:Large systems: the Fullerene molecule|Large systems: the Fullerene molecule]]
 
* [[Tutorial:Band structure of monolayer hBN|Band structure of monolayer hBN]]
 
* [[Tutorial:DFT+U|DFT+U]]
 
* [[Tutorial:Geometry optimization|Geometry optimization]]
 
* [[Tutorial:Basic QOCT|Basic QOCT]] - getting started with QOCT
 
* [[Tutorial:Running Octopus on Graphical Processing Units (GPUs)|Running Octopus on Graphical Processing Units (GPUs)]] (incomplete)
 
* [[Tutorial:Sternheimer linear response|Sternheimer linear response]]
 
* [[Tutorial:Vibrational modes|Vibrational modes]]
 
* [[Tutorial:Recipe|Recipe]]
 
* [[Tutorial:Parallelization and performance|Parallelization and performance]]
 
* [[Tutorial:BerkeleyGW|BerkeleyGW]]
 
* [[Tutorial:Atomic Simulation Environment (ASE)|Atomic Simulation Environment (ASE)]]
 
* [[Quantum-dots tutorial|Benasque TDDFT 2010 quantum-dots tutorial on real-space methods and code development]]
 
  
 
=== Categories ===
 
=== Categories ===
  
Here you can browse the tutorials by categories.
+
Here you can browse the tutorials by categories, or see the [[:Category:Tutorial|full list of tutorials]].
  
 
==== Difficulty level ====
 
==== Difficulty level ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Basic|Basic]]
 
* [[:Category:Basic|Basic]]
 
* [[:Category:Beginner|Beginner]]
 
* [[:Category:Beginner|Beginner]]
 
* [[:Category:Advanced|Advanced]]
 
* [[:Category:Advanced|Advanced]]
 
* [[:Category:Expert|Expert]]
 
* [[:Category:Expert|Expert]]
 +
|}
  
 
==== Calculation mode ====
 
==== Calculation mode ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Ground State|Ground State]]
 
* [[:Category:Ground State|Ground State]]
 
* [[:Category:Time-dependent|Time-dependent]]
 
* [[:Category:Time-dependent|Time-dependent]]
 
* [[:Category:Unoccupied|Unoccupied]]
 
* [[:Category:Unoccupied|Unoccupied]]
 
* [[:Category:Casida|Casida]]
 
* [[:Category:Casida|Casida]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Electromagnetic Response|Electromagnetic Response]]
 
* [[:Category:Electromagnetic Response|Electromagnetic Response]]
 
* [[:Category:Vibrational Modes|Vibrational Modes]]
 
* [[:Category:Vibrational Modes|Vibrational Modes]]
 
* [[:Category:Optimal Control|Optimal Control]]
 
* [[:Category:Optimal Control|Optimal Control]]
 
* [[:Category:Geometry Optimization|Geometry Optimization]]
 
* [[:Category:Geometry Optimization|Geometry Optimization]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:van der Waals Coefficients|van der Waals Coefficients]]
 
* [[:Category:van der Waals Coefficients|van der Waals Coefficients]]
 
* [[:Category:k.p Perturbation Theory|k.p Perturbation Theory]]
 
* [[:Category:k.p Perturbation Theory|k.p Perturbation Theory]]
 
* [[:Category:Kohn-Sham Inversion|Kohn-Sham Inversion]]
 
* [[:Category:Kohn-Sham Inversion|Kohn-Sham Inversion]]
 
* [[:Category:Recipe|Recipe]]
 
* [[:Category:Recipe|Recipe]]
 +
|}
  
 
==== Theory ====
 
==== Theory ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Independent Particles|Independent Particles]]
 
* [[:Category:Independent Particles|Independent Particles]]
 
* [[:Category:DFT|DFT]]
 
* [[:Category:DFT|DFT]]
 
* [[:Category:OEP|OEP]]
 
* [[:Category:OEP|OEP]]
 
* [[:Category:DFT+U|DFT+U]]
 
* [[:Category:DFT+U|DFT+U]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Hartree-Fock|Hartree-Fock]]
 
* [[:Category:Hartree-Fock|Hartree-Fock]]
 
* [[:Category:RDMFT|RDMFT]]
 
* [[:Category:RDMFT|RDMFT]]
 +
* [[:Category:GW|GW]]
 +
|}
  
 
==== System type ====
 
==== System type ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Molecule|Molecule]]
 
* [[:Category:Molecule|Molecule]]
 
* [[:Category:Bulk|Bulk]]
 
* [[:Category:Bulk|Bulk]]
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* [[:Category:Chain|Chain]]
 
* [[:Category:Chain|Chain]]
 
* [[:Category:Model|Model]]
 
* [[:Category:Model|Model]]
 +
|}
  
 
==== Feature ====
 
==== Feature ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Absorbing Boundaries|Absorbing Boundaries]]
 
* [[:Category:Absorbing Boundaries|Absorbing Boundaries]]
 
* [[:Category:Band Structure|Band Structure]]
 
* [[:Category:Band Structure|Band Structure]]
 
* [[:Category:Circular Dichroism|Circular Dichroism]]
 
* [[:Category:Circular Dichroism|Circular Dichroism]]
 
* [[:Category:DOS|DOS]]
 
* [[:Category:DOS|DOS]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Forces|Forces]]
 
* [[:Category:Forces|Forces]]
 
* [[:Category:High Harmonic Generation|High Harmonic Generation]]
 
* [[:Category:High Harmonic Generation|High Harmonic Generation]]
 
* [[:Category:Hyperpolarizabilities|Hyperpolarizabilities]]
 
* [[:Category:Hyperpolarizabilities|Hyperpolarizabilities]]
 
* [[:Category:Ionization Potential|Ionization Potential]]
 
* [[:Category:Ionization Potential|Ionization Potential]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Laser|Laser]]
 
* [[:Category:Laser|Laser]]
 
* [[:Category:Magnetic Susceptibilities|Magnetic Susceptibilities]]
 
* [[:Category:Magnetic Susceptibilities|Magnetic Susceptibilities]]
 
* [[:Category:Molecular Dynamics|Molecular Dynamics]]
 
* [[:Category:Molecular Dynamics|Molecular Dynamics]]
 
* [[:Category:Optical Absorption|Optical Absorption]]
 
* [[:Category:Optical Absorption|Optical Absorption]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Photoelectron Spectroscopy|Photoelectron Spectroscopy]]
 
* [[:Category:Photoelectron Spectroscopy|Photoelectron Spectroscopy]]
 
* [[:Category:Total Energy|Total Energy]]
 
* [[:Category:Total Energy|Total Energy]]
 
* [[:Category:Triplet Excitations|Triplet Excitations]]
 
* [[:Category:Triplet Excitations|Triplet Excitations]]
 
* [[:Category:van der Waals|van der Waals]]
 
* [[:Category:van der Waals|van der Waals]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:Vibrations|Vibrations]]
 
* [[:Category:Vibrations|Vibrations]]
 
* [[:Category:Visualization|Visualization]]
 
* [[:Category:Visualization|Visualization]]
 +
* [[:Category:Sternheimer|Sternheimer]]
 +
* [[:Category:Polarizable Continuum Model|Polarizable Continuum Model]]
 +
|}
  
 
==== Species type ====
 
==== Species type ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:Pseudopotentials|Pseudopotentials]]
 
* [[:Category:Pseudopotentials|Pseudopotentials]]
 
* [[:Category:User-defined Species|User-defined]]
 
* [[:Category:User-defined Species|User-defined]]
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* [[:Category:Jellium|Jellium]]
 
* [[:Category:Jellium|Jellium]]
 
* [[:Category:Soft-Coulomb|Soft-Coulomb]]
 
* [[:Category:Soft-Coulomb|Soft-Coulomb]]
 +
|}
  
 
==== Utilities ====
 
==== Utilities ====
 +
{| style="margin-left:1em;"
 +
|
 
* [[:Category:oct-casida_spectrum|oct-casida_spectrum]]
 
* [[:Category:oct-casida_spectrum|oct-casida_spectrum]]
 
* [[:Category:oct-center-geom|oct-center-geom]]
 
* [[:Category:oct-center-geom|oct-center-geom]]
 
* [[:Category:oct-conductivity_spectrum|oct-conductivity_spectrum]]
 
* [[:Category:oct-conductivity_spectrum|oct-conductivity_spectrum]]
 
* [[:Category:oct-convert|oct-convert]]
 
* [[:Category:oct-convert|oct-convert]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:oct-local_multipoles|oct-local_multipoles]]
 
* [[:Category:oct-local_multipoles|oct-local_multipoles]]
 
* [[:Category:oct-photoelectron_spectrum|oct-photoelectron_spectrum]]
 
* [[:Category:oct-photoelectron_spectrum|oct-photoelectron_spectrum]]
 
* [[:Category:oct-propagation_spectrum|oct-propagation_spectrum]]
 
* [[:Category:oct-propagation_spectrum|oct-propagation_spectrum]]
 
* [[:Category:oct-vibrational_spectrum|oct-vibrational_spectrum]]
 
* [[:Category:oct-vibrational_spectrum|oct-vibrational_spectrum]]
 +
|width="30px"|&nbsp;<!--spacer-column-->
 +
|
 
* [[:Category:oct-xyz-anim|oct-xyz-anim]]
 
* [[:Category:oct-xyz-anim|oct-xyz-anim]]
 +
* [[:Category:oct-wannier90|oct-wannier90]]
 +
* [[:Category:oct-unfold|oct-unfold]]
 +
|}
  
 
==== [[:Category:Obsolete|Obsolete features]] ====
 
==== [[:Category:Obsolete|Obsolete features]] ====

Latest revision as of 01:11, 26 November 2019

Here you will find a collection of tutorials covering a wide range of topics, from the basics of performing calculations with Octopus to more advanced features. Several series of linked tutorials are proposed to guide you on how to perform certain types of calculations. These tutorials do not by any means cover all the things that Octopus can do for you, but hopefully they cover the most common options. You can find more information in the online Manual.

If you have never used Octopus before, then you should start with the Octopus basics series of tutorials.

A complete list of all available tutorials can be found here. The tutorials are also organized by categories that you can browse in case you are interested in some specific type of system, feature, or calculation mode.

Note on MediaWiki error message you may get on some of these pages

Tutorial series

  • Octopus basics - getting started with Octopus.
  • Optical response - how to calculate several types of optical response with different methods.
  • Model systems - working with model systems, like quantum dots or quantum wells.

Categories

Here you can browse the tutorials by categories, or see the full list of tutorials.

Difficulty level

Calculation mode

   

Theory

 

System type

Feature

       

Species type

Utilities

   

Obsolete features