FigureS11.png:			The figure as published 
data:				Contains the data plotted.

BB_AA.dat:		data obtained using AA (13 or 30) Angstrom of vacuum
			and for the BB site (edge, middle of bottom).
                        The two columns are the distance of the carbon atom from the surface
                        and the energy in eV with respect to the asymptotic

BB_delta.dat: 	difference between the two set of results 
		for the BB site as a function of the distance from the surface
				
		note that the average value for 6.498 Ang (i.e., 2.1 kJ/mol)
		is the residual energy ER

INPUTS:		files used to perform the calculations.
		The POSCAR_BB file is an example geometry 
		for the BB site