Distorted AB-pair graphene cluster model -------------------------------------- Interpretation used for this project: - 6-site supercell with labels A, A', B, B', C, C' - coordinates are explicitly distorted in real space - each original A-B pair is pulled together inside the enlarged cell - onsite energies are all equal to zero - nearest-neighbor hopping only - hopping is generated from the distorted bond length through t(d) = t0 * exp[-beta * (d/a0 - 1)] pair_shift = 0.120000 t0 = 1.000000 beta = 3.370000 Supercell vectors: T1 = (2.598076, 1.500000) T2 = (-2.598076, 1.500000) 6x6 Bloch Hamiltonian: H_ij(k) = sum_R t_ij(R) exp[i k dot (R + r_j - r_i)] Unique nearest-neighbor distances / hoppings: d = 0.760000, t(d) = 2.245212 d = 1.139122, t(d) = 0.625726 Direct gap from reciprocal-space grid = 1.987520