Calcite (CaCO3 )
Calcite (CaCO3 )
20. Type Q to go back to the MAIN MENU (which will now be with many more options) and then press M to enter the cell modification menu.
Lattice vectors
21. The Ex command lets you to create the supercell and it works like the Bb command.
tetr creates definitively the supercell with 80 atoms in this case. You can see the lattice vectors are extended as well. Remember,
if you think to have made an error in building the supercell, you can always type U command to cancel the last operation!
22. Once you have created the supercell, again you can save it as we did before and then preview in a separate X-window:
Here, you can find different operations to modify the cell.
For more detail of all of them, see the manual and other tutorials