[hananilani]

hi all,

I have read papers in which they specify the dangling bonds on the surfaces and tey saturate it with hydrogen forexample;

1. should it be hydrogen atoms or ghost hydrogen?
2. how to specify the dangling bonds?
3. any suggestion for specifying the position of these hydrogens in simulating codes? should I use visualization tools? any suggestion for doing it manually?

Regards,
Sara