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

NAME
     oct-run_periodic_table - run octopus for atoms

SYNOPSIS
     oct-run_periodic_table [ option ]...

DESCRIPTION
     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 pro-
     grams, but only their basic description. For where to find more documenta-
     tion, see the "SEE ALSO" section below.

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

     prompt> oct-run_periodic_table -s He -x octopus

AUTHOR
     Written by H. Appel.

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

COPYRIGHT
     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.

SEE ALSO
     The largest source of documentation is the octopus website: http://octo-
     pus-code.org.

perl v5.42.3			   2025-10-21	       OCT-RUN_PERIODIC_TABLE(1)

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