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 programs, but only their basic description. For where to find more documentation, 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

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