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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This tutorial should make your start with [[octopus]] a little easier. The tutorial will provide you with a
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couple of examples of different things that you can do with this program. It is by no means complete, there are a lot of other things that [[octopus]] can do for you, but hopefully it gives you an idea of how to use the different options. You can
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find more information in the online manual.
  
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[[octopus]] is a real-space code that works with space grids. The spacing can be different in different directions. All quantities are given in atomic units unless stated otherwise. It also treats all numbers internally as double precision but you as the user don't have to worry about that.
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* Model potentials
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** The [[1DHarmonicOscillator|harmonic oscillator]] in 1D
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** A one-dimensional model for the [[1DHellium|Helium atom]]
 
* A simple example: The [[Nitrogen atom]]
 
* A simple example: The [[Nitrogen atom]]
 
* Another example: the [[Nitrogen molecule]]
 
* Another example: the [[Nitrogen molecule]]
 
* One [[time-dependent run]]
 
* One [[time-dependent run]]
* Model potentials
 
** A one-dimensional model for the [[1DHellium|Helium atom]]
 

Revision as of 14:17, 16 December 2005

This tutorial should make your start with octopus a little easier. The tutorial will provide you with a couple of examples of different things that you can do with this program. It is by no means complete, there are a lot of other things that octopus can do for you, but hopefully it gives you an idea of how to use the different options. You can find more information in the online manual.

octopus is a real-space code that works with space grids. The spacing can be different in different directions. All quantities are given in atomic units unless stated otherwise. It also treats all numbers internally as double precision but you as the user don't have to worry about that.