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: -4.4636379 -4.4599716 -4.4599716 -4.4599716 -2.2762251 :EIG00006: -2.2762251 -2.2762251 -2.2631171 -2.2629047 -2.2629047 :EIG00011: -2.2629047 -2.2512743 -2.2512743 -2.2466901 -2.2466901 :EIG00016: -2.2466901 -0.0370459 0.2657115 0.2657115 0.2657115 :EIG00021: 0.4812739 0.4812739 0.4812739 0.5398033 0.5506658 :EIG00026: 0.5506658 0.5506658 0.6053295 0.6053295 0.6053295 :EIG00031: 0.6085811 0.6085811 0.7028174 0.7028174 0.7028174 :EIG00036: 0.8419447 0.8419447 0.8419447 0.8556908 0.8556908 :EIG00041: 0.9555114 0.9555114 0.9555114 1.1133908 1.1133908 :EIG00046: 1.1133908 1.2103815 1.2103815 1.2753946 1.2753946 :EIG00051: 1.2753946 1.2969231 1.4000720 1.4000720 1.4000720 :EIG00056: 1.4238460 1.4238460 1.4238460 1.4901203 1.6508293 :EIG00061: 1.6530158 1.6530158 1.6530158 1.8513688 1.8513688 :EIG00066: 2.0651499 2.0651499 2.0651499 2.0908221 2.0908221 :EIG00071: 2.1344345 2.1367841 2.1367841 2.1367841 2.3422779 :EIG00076: 2.3422779 2.3422779 2.3723229 2.3723229 2.3723229 :EIG00081: 2.3831814 2.3831814 2.4743917 2.4743917 2.4743917 ******************************************************** :KPT : NUMBER OF K-POINTS: 119