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1.10 occ

occ $ \{$"all" |<name>|<number>$\} $,<o>


This command allows the user to set the occupancy of a given site. The parameter "all" will result in the assignment of the occupancy <o> to all atoms of the currently active phase (-> phase). Alternatively a specific atom name <name> or even more specific the number <number> of a single atom type can be used. Note that for DISCUS compatibility the occupancies are not part of the structure file and must be set separately. The default value is 1.0.


Thomas Proffen {Billinge}
1999-07-20