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Man Pages
OCT-RUN_PERIODIC_TABLE(1) octopus documentation OCT-RUN_PERIODIC_TABLE(1)

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 pseudopotentials are available.

-h
Show this message.
-n
Run in dry-run mode (show what would be executed).
-s species
Run octopus for given species.
-a
Run octopus for all atoms.
-r
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 executable to calculate the He atom.

prompt> oct-run_periodic_table -s He -x octopus

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 the octopus website: http://octopus-code.org.
2021-11-25 perl v5.32.1

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