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OCT-ATOMIC_OCCUPATIONS(1)    octopus documentation   OCT-ATOMIC_OCCUPATIONS(1)

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
       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://octopus-code.org.

perl v5.32.1			  2020-06-20	     OCT-ATOMIC_OCCUPATIONS(1)

NAME | SYNOPSIS | DESCRIPTION | EXAMPLES | AUTHOR | REPORTING BUGS | COPYRIGHT | SEE ALSO

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