Hello everyone! I am asking for suggestion. I'm trying to make input for scf calculation (and then for electron-phonon... ) for graphene with adatoms. I've been doing calculation with monolayer graphene and I used hexagonal lattice to describe it and large c/a with vacuum to simulate monolayer. I've been using GPU version of code and it works perfectly (I'll write something more about that on GPU message board) Now I'd like to add adatoms in the middle of lattice and I'm not sure how to do that. Is there any way to make input for hexagonal lattice with adatom or I have to make free lattice ibrav=0 and then use CELL PARAMETER card?
Looking forward to your answers, Jelena Pesic PhD Student, Institute of Physics Belgrade, Serbia
