Table 6.

Calculated (PBE/BEEF‐vdW) and theoretical reference dimer interaction energies E _int of two Mg adatoms adsorbed on (6×3) Mg(10$\bar{1}$ 1). E _int was calculated with Equation (3) and the adatoms were initially placed at positions 0 & x. For the BEEF‐vdW functional, the calculated standard deviation of the dimer interaction energy E _int is given in parenthesis.

Position	E int [eV] for Mg(10$\bar{1}$ 1)
	this work		other work
	PBE	BEEF‐vdW	PBE	Ref.
0 & 1	−0.31	−0.28 (0.05)	−0.31	[30]
0 & 2	0.01	0.01 (0.02)	–	–
0 & 3	−0.01	0.00 (0.02)	–	–
0 & 4[a]	−0.35	−0.29 (0.07)	–	–
0 & 5	−0.01	−0.01 (0.02)	–	–

[a] Since the adsorption site of atom 4 is not stable outside of the dimer configuration, the adsorption energy for this atom was assumed to be equivalent to an fcc position on Mg(0001) to calculate the interaction energies.