ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ru :e__0001: OVERALL ENERGY PARAMETER IS 0.6771 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.5130 APW+lo :E0_0001: E( 0)= -4.4740 E(BOTTOM)= -4.533 E(TOP)= -4.415 LOCAL ORBITAL :E1_0001: E( 1)= 0.6450 APW+lo :E1_0001: E( 1)= -2.2300 LOCAL ORBITAL :E2_0001: E( 2)= 0.6720 APW+lo :E2_0001: E( 2)= 0.2450 LOCAL ORBITAL ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Si :e__0002: OVERALL ENERGY PARAMETER IS 0.6771 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.5960 APW+lo :E0_0002: E( 0)= 0.1850 LOCAL ORBITAL :E1_0002: E( 1)= 0.5860 APW+lo :E1_0002: E( 1)= 0.1070 LOCAL ORBITAL :E2_0002: E( 2)= 0.6810 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 639LOs: 124 RKM= 7.41 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -4.4636382 -4.4599719 -4.4599719 -4.4599719 -2.2762238 :EIG00006: -2.2762238 -2.2762238 -2.2631158 -2.2629054 -2.2629054 :EIG00011: -2.2629054 -2.2512750 -2.2512750 -2.2466907 -2.2466907 :EIG00016: -2.2466907 -0.0370442 0.2657129 0.2657129 0.2657129 :EIG00021: 0.4812750 0.4812750 0.4812750 0.5398050 0.5506681 :EIG00026: 0.5506681 0.5506681 0.6053303 0.6053303 0.6053303 :EIG00031: 0.6085825 0.6085825 0.7028181 0.7028181 0.7028181 :EIG00036: 0.8419453 0.8419453 0.8419453 0.8556907 0.8556907 :EIG00041: 0.9555129 0.9555129 0.9555129 1.1133926 1.1133926 :EIG00046: 1.1133926 1.2103827 1.2103827 1.2753952 1.2753952 :EIG00051: 1.2753952 1.2969241 1.4000727 1.4000727 1.4000727 :EIG00056: 1.4238474 1.4238474 1.4238474 1.4901200 1.6508328 :EIG00061: 1.6530173 1.6530173 1.6530173 1.8513701 1.8513701 :EIG00066: 2.0651516 2.0651516 2.0651516 2.0908236 2.0908236 :EIG00071: 2.1344363 2.1367858 2.1367858 2.1367858 2.3422791 :EIG00076: 2.3422791 2.3422791 2.3723237 2.3723237 2.3723237 :EIG00081: 2.3831830 2.3831830 2.4743927 2.4743927 2.4743927 ******************************************************** :KPT : NUMBER OF K-POINTS: 9020