I see. Sorry for not to be clear on the question.
Let me specify it.
So, in the example of Ag work function calculation as below
https://docs.quantumwise.com/tutorials/work_function_ag_100/work_function_ag_100.html#work-function-ag-100It set up one Ag atom as a ghost.
To do the same thing on monolayer MoS2, I put atoms as follows
vacuum Mo-S-Mo-Mo(ghost atom) vacuum
Monolayer Mo-S-Mo is there and one Mo atom is placed on one side of MoS2.
Then, here what could be the good distance between MoS2 and ghost Mo atom? Any distance would be fine?
One more question is
Do I need to run relaxation calculation (relaxing Mo-S-Mo and fix ghost Mo atom)?
If I have relaxed Mo-S-Mo (monolayer MoS2), then placing one ghost Mo atom requires another relaxation?
Thanks.
jiwon