-- ligand field operator in Oh -- symmetry acting on a d shell NF = 20 NB = 0 IndexDn_3d = { 0, 2, 4, 6, 8} IndexUp_3d = { 1, 3, 5, 7, 9} IndexDn_Ld = {10,12,14,16,18} IndexUp_Ld = {11,13,15,17,19} Veg = 2.06 Vt2g = 1.21 Akm = {{0, 0,0.4*Veg+0.6*Vt2g}, {4, 0,(21/10)*(Veg-Vt2g)}, {4,-4,(3/2)*math.sqrt(7/10)*(Veg-Vt2g)}, {4, 4,(3/2)*math.sqrt(7/10)*(Veg-Vt2g)}} OppLF = NewOperator("CF", NF, IndexUp_3d,IndexDn_3d, IndexUp_Ld,IndexDn_Ld,Akm) + NewOperator("CF", NF, IndexUp_Ld,IndexDn_Ld, IndexUp_3d,IndexDn_3d,Akm)