Syntax
cellInfo = unitcell(obj, idx)
Description
cellInfo = unitcell(obj, idx) returns information on symmetry
inequivalent atoms and allowing to subselect certain atoms using the
idx index vector.
Examples
The example keeps only the first and third symmetry inequivalent atoms in
cryst object.
cryst.unit_cell = unitcell(cryst,[1 3]);
The example keeps only the atoms with labels 'O' (Oxygen) atoms in
cryst object.
cryst.unit_cell = unitcell(cryst,'O');
Input Arguments
obj- spinw object.
idx- Selects certain atoms. If undefined
unit_cell(obj)orobj.unit_cellreturns information on all atoms. The selection can be also done according to the atom labels, in this case either a string of the label or cell of strings for several labels can be given.
Output Arguments
cellInfo- Structure that contains all the fields of spinw.unit_cell.