Difference between revisions of "Tutorials"

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This is an introduction to the usage of the [[octopus]] code. It presents a series of simple input files, which exemplify the most important possible uses of the code, along with the expected output files. Both input variables and output files are explained, although there is no attempt to give a comprehensive review of all possible variables -- and the values that these may take -- or running possibilities; it is the [[octopus]] manual which attempts to do that.
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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
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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]].
  
* A simple example: The [[Nitrogen atom]]
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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.
* Another example: the [[Nitrogen molecule]]
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* One [[time-dependent run]]
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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.
* Model potentials
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** A one-dimensional model for the [[1DHellium|Helium atom]]
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''[[MathML error message|Note on MediaWiki error message you may get on some of these pages]]''
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=== Tutorial series ===
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* [[Tutorial Series:Octopus basics|Octopus basics]] - getting started with {{octopus}}.
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* [[Tutorial Series:Optical response|Optical response]] - how to calculate several types of optical response with different methods.
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* [[Tutorial Series:Model systems|Model systems]] - working with model systems, like quantum dots or quantum wells.
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=== Categories ===
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Here you can browse the tutorials by categories, or see the [[:Category:Tutorial|full list of tutorials]].
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==== Difficulty level ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Basic|Basic]]
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* [[:Category:Beginner|Beginner]]
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* [[:Category:Advanced|Advanced]]
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* [[:Category:Expert|Expert]]
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|}
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==== Calculation mode ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Ground State|Ground State]]
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* [[:Category:Time-dependent|Time-dependent]]
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* [[:Category:Unoccupied|Unoccupied]]
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* [[:Category:Casida|Casida]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Electromagnetic Response|Electromagnetic Response]]
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* [[:Category:Vibrational Modes|Vibrational Modes]]
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* [[:Category:Optimal Control|Optimal Control]]
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* [[:Category:Geometry Optimization|Geometry Optimization]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:van der Waals Coefficients|van der Waals Coefficients]]
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* [[:Category:k.p Perturbation Theory|k.p Perturbation Theory]]
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* [[:Category:Kohn-Sham Inversion|Kohn-Sham Inversion]]
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* [[:Category:Recipe|Recipe]]
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|}
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==== Theory ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Independent Particles|Independent Particles]]
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* [[:Category:DFT|DFT]]
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* [[:Category:OEP|OEP]]
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* [[:Category:DFT+U|DFT+U]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Hartree-Fock|Hartree-Fock]]
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* [[:Category:RDMFT|RDMFT]]
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* [[:Category:GW|GW]]
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|}
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==== System type ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Molecule|Molecule]]
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* [[:Category:Bulk|Bulk]]
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* [[:Category:Slab|Slab]]
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* [[:Category:Chain|Chain]]
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* [[:Category:Model|Model]]
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|}
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==== Feature ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Absorbing Boundaries|Absorbing Boundaries]]
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* [[:Category:Band Structure|Band Structure]]
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* [[:Category:Circular Dichroism|Circular Dichroism]]
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* [[:Category:DOS|DOS]]
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* [[:Category:Magnons in real time|Magnons in real time]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Forces|Forces]]
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* [[:Category:High Harmonic Generation|High Harmonic Generation]]
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* [[:Category:Hyperpolarizabilities|Hyperpolarizabilities]]
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* [[:Category:Ionization Potential|Ionization Potential]]
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* [[:Category:Berry phase|Berry phase]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Laser|Laser]]
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* [[:Category:Magnetic Susceptibilities|Magnetic Susceptibilities]]
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* [[:Category:Molecular Dynamics|Molecular Dynamics]]
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* [[:Category:Optical Absorption|Optical Absorption]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Photoelectron Spectroscopy|Photoelectron Spectroscopy]]
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* [[:Category:Total Energy|Total Energy]]
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* [[:Category:Triplet Excitations|Triplet Excitations]]
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* [[:Category:van der Waals|van der Waals]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:Vibrations|Vibrations]]
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* [[:Category:Visualization|Visualization]]
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* [[:Category:Sternheimer|Sternheimer]]
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* [[:Category:Polarizable Continuum Model|Polarizable Continuum Model]]
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|}
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==== Species type ====
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{| style="margin-left:1em;"
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|
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* [[:Category:Pseudopotentials|Pseudopotentials]]
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* [[:Category:User-defined Species|User-defined]]
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* [[:Category:All-electron|All-electron]]
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* [[:Category:Jellium|Jellium]]
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* [[:Category:Soft-Coulomb|Soft-Coulomb]]
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|}
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==== Utilities ====
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{| style="margin-left:1em;"
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|
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* [[:Category:oct-casida_spectrum|oct-casida_spectrum]]
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* [[:Category:oct-center-geom|oct-center-geom]]
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* [[:Category:oct-conductivity_spectrum|oct-conductivity_spectrum]]
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* [[:Category:oct-convert|oct-convert]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:oct-local_multipoles|oct-local_multipoles]]
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* [[:Category:oct-photoelectron_spectrum|oct-photoelectron_spectrum]]
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* [[:Category:oct-propagation_spectrum|oct-propagation_spectrum]]
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* [[:Category:oct-vibrational_spectrum|oct-vibrational_spectrum]]
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|width="30px"|&nbsp;<!--spacer-column-->
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|
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* [[:Category:oct-xyz-anim|oct-xyz-anim]]
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* [[:Category:oct-wannier90|oct-wannier90]]
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* [[:Category:oct-unfold|oct-unfold]]
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|}
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==== [[:Category:Obsolete|Obsolete features]] ====

Latest revision as of 15:23, 18 September 2020

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