TEMStrain    

Locations of atoms in the unit cell

Location of atoms must be specified for the complete set of patterns by clicking on “Settings” command button and by selecting “Unit cell” tab. The procedure is as follows: First enter the number (<=16) of different elements constituting the unit cell. To each element a number is assigned in “Element no”. Thus, select this number and the element itself (e.g. 14 Si),  and then specify (in “Number of atoms :”) the number of atoms (<=128) of the selected element in the unit cell. To each atom a number is assigned in “Atom no”. Thus, select this number, then specify coordinates of the atom site in the unit cell (with respect to direct lattice basis vectors) and site occupancy (Occ.).