TABLE OF CONTENTS
::pwtk::orbitalGroup
SYNOPSIS
proc ::pwtk::orbitalGroup {name combination} {
DESCRIPTION
Define new combinations of orbitals to be use for PDOS plots.
ARGUMENTS
- name -- name of the new orbital-combination
- combination -- combination of orbitals
EXAMPLE
orbitalGroup t2g {dxy + dxz + dyz}
SOURCE
variable orbitalGroup set name [normalize_orbital_expr_ $name] if { [info exists orbitalGroup($name)] } { print "Overwriting the definition of the \"$name\" group orbital current value : $name = $orbitalGroup($name) new value : $name = $combinatioin " } set orbitalGroup($name) $combination }