NAME

oct-atomic_occupations - prints atomic electronic configurations.

SYNOPSIS

oct-atomic_occupations [ option ]...

DESCRIPTION

This script is one of the octopus utilities.

It prints out to standard output the atomic electronic configuration of a given atom, and the way this electronic configuration should be specified in the %Occupations block of an octopus input file.

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.

-s species: species is the atomic symbol (e.g. Na, Au, etc).
-h: Show a brief summary of command line options.

EXAMPLES

oct-atomic_occupations -s Na

oct-atomic_occupations -s Ti_sc

for x in \$(cat /usr/share/octopus/PP/defaults | awk '{print \$1}'); do oct-atomic_occupations -s $x; done

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.