ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM U 1 :e__0001: OVERALL ENERGY PARAMETER IS 0.6720 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.5910 APW+lo :E0_0001: E( 0)= -2.3130 LOCAL ORBITAL :E1_0001: E( 1)= 0.6920 APW+lo :E1_0001: E( 1)= -0.5180 LOCAL ORBITAL :E2_0001: E( 2)= 0.7080 APW+lo :E3_0001: E( 3)= 0.8210 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ru1 :e__0002: OVERALL ENERGY PARAMETER IS 0.6720 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.5830 APW+lo :E0_0002: E( 0)= -4.4490 E(BOTTOM)= -4.511 E(TOP)= -4.387 LOCAL ORBITAL :E1_0002: E( 1)= 0.7090 APW+lo :E1_0002: E( 1)= -2.2180 LOCAL ORBITAL :E2_0002: E( 2)= 0.6880 APW+lo :E2_0002: E( 2)= 0.2610 LOCAL ORBITAL ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Si1 :e__0003: OVERALL ENERGY PARAMETER IS 0.6720 OVERALL BASIS SET ON ATOM IS LAPW :E0_0003: E( 0)= 0.6680 APW+lo :E0_0003: E( 0)= 0.2330 LOCAL ORBITAL :E1_0003: E( 1)= 0.6230 APW+lo :E2_0003: E( 2)= 0.7180 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 429LOs: 76 RKM= 6.99 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -4.4380159 -4.4347811 -2.3102459 -2.2466263 -2.2466263 :EIG00006: -2.2325285 -2.2292315 -2.2292315 -2.2280901 -0.5005092 :EIG00011: -0.4884543 -0.4884543 0.0893906 0.3182541 0.4248324 :EIG00016: 0.5757744 0.5766754 0.5766754 0.7375420 0.7375420 :EIG00021: 0.7513796 0.7609604 0.8064676 0.8096921 0.8146674 :EIG00026: 0.8146674 0.8638637 0.8846862 0.8846862 0.9289545 :EIG00031: 0.9501974 0.9615581 0.9615581 0.9763959 0.9803008 :EIG00036: 1.1090164 1.1775505 1.1775505 1.2042407 1.2529460 :EIG00041: 1.3782627 1.4274154 1.4274154 1.5009100 1.6075575 :EIG00046: 1.6075575 1.6640247 1.6806349 1.7099526 1.7099526 :EIG00051: 1.8286304 1.8565010 ******************************************************** :KPT : NUMBER OF K-POINTS: 163