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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 v5.36.3 2024-12-17 OCT-ATOMIC_OCCUPATIONS(1)
NAME | SYNOPSIS | DESCRIPTION | EXAMPLES | AUTHOR | REPORTING BUGS | COPYRIGHT | SEE ALSO
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