Manual

From OctopusWiki

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If you are going to cooperate please check Writing Documentation.
If you want to know what you can do check for open tickets: [1]
If you want to print or download the whole manual there is a PDF version available.

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About This Manual

About Octopus

Installation

Basics

The parser

Running Octopus

Units

Physical System

Hamiltonian

Discretization

Output

Troubleshooting

Calculations

Ground State

Time Dependent

Casida Linear Response

Sternheimer Linear Response

Optimal Control

Geometry Optimization

Advanced ways of running Octopus

Utilities

Utilities

oct-atomic_occupations

oct-broad

oct-center-geom

oct-cross-section

oct-display_partitions

oct-harmonic-spectrum

oct-ph

oct-rsf

oct-run_periodic_table

oct-run_regression_test.pl

oct-run_testsuite

oct-xyz-anim

Visualization

Deprecated Utilities

oct-rs *

oct-excite *

oct-make-st *

oct-help

Examples

Hello World

Benzene

Appendix

Appendix: Migrating to Octopus 3.0

Appendix: Porting Octopus and Platform Specific Instructions

Appendix: Reference Manual

Appendix: Copying

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