Difference between revisions of "Manual:External utilities:oct-run periodic table"

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Revision as of 13:18, 10 May 2007


oct-run_periodic_table - run octopus for atoms


oct-run_periodic_table [ option ] ...


This script is one of the octopus utilities.

Simple script to run octopus for all atoms in the periodic table for which pseudopoentials are available.


Show this message


Run in dry run mode (show what would be executed)

-s specie

Run octopus for given specie.


Run octopus for all atoms


Do a restart, i.e. do not use fromScratch=yes.

-t temperature

Run with electronic temperature.

-e no_states

Use extra states

-x octopus_executable

-d defaults_file_for_pseudopotentials

The man pages of Octopus and of the auxiliary Octopus sub-programs (oct-something) are not intended to contain the documentation of the programs, but only their basic description. For where to find more documentation, see the SEE ALSO section below.


The following command would run the octopus_cmplx executable to calculate the He atom.

 $  oct-run_periodic_table -s He -x octopus_cmplx


Written by H. Appel.


Report bugs to <appel@physik.fu-berlin.de>.


Copyright (C) 2005 H. Appel.

This is free software; see the source for copying conditions. There is NO warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.


The largest source of documentation is expected to be at the Octopus wiki: http://www.tddft.org/programs/octopus/wiki/.

At the usual standard locations, you will also find and info file, octopus.info.

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