c(4x2) Si(001) surface

 
 

11. The lowest atom has number 1. Tag it (type T followed by its number 1).

10. To terminate with H atoms, we first need to make the current cell the reference one; use SR:

12. Terminate the tagged atom with hydrogens: use H (right).

13. It is easy to see that we have to remove one H atom with number 13. Tag it and then remove with Rm (left).

This is the required slab. This can be easily checked using Bb with settings    -2 2, -2 2 and 0,0 (right).

14. Now we can create a vacuum gap between slabs. Using 8, change the 3rd vector into 0.0 0.0, 30.0. The 1st stage of the surface construction is finished.

At this point we can either increase the 3rd vector first and then add H atoms, or we can do these two actions in the reverse order. Let us adopt the latter strategy.