ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe1 :e__0001: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.2630 APW+lo :E1_0001: E( 1)= 0.4410 APW+lo :E1_0001: E( 1)= -3.1610 E(BOTTOM)= -3.223 E(TOP)= -3.099 LOCAL ORBITAL :E2_0001: E( 2)= 0.6310 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Si2 :e__0002: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.1500 APW+lo :E1_0002: E( 1)= 0.4640 APW+lo :E2_0002: E( 2)= 0.5850 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 599LOs: 84 RKM= 7.40 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.1600605 -3.1600605 -3.1600605 -3.1560737 -3.1453491 :EIG00006: -3.1453491 -3.1453491 -3.1416736 -3.1416736 -3.1403215 :EIG00011: -3.1403215 -3.1403215 -0.1815220 0.2046010 0.2046010 :EIG00016: 0.2046010 0.4031020 0.4031020 0.4031020 0.5095775 :EIG00021: 0.5095775 0.5095775 0.5370324 0.5568698 0.5568698 :EIG00026: 0.5733645 0.5733645 0.5733645 0.6172652 0.6172652 :EIG00031: 0.6172652 0.7209150 0.7209150 0.7209150 0.7312411 :EIG00036: 0.7312411 0.7852871 0.7852871 0.7852871 0.9735285 :EIG00041: 0.9735285 0.9735285 1.0150429 1.0150429 1.0597984 :EIG00046: 1.0597984 1.0597984 1.1729657 1.2530570 1.2530570 :EIG00051: 1.2530570 1.3937208 1.3937208 1.3937208 1.4904481 :EIG00056: 1.5381951 1.5426375 1.5426375 1.5426375 1.8747533 :EIG00061: 1.8747533 2.0495379 2.0495379 2.0495379 2.1077904 :EIG00066: 2.1495869 2.1495869 2.2019163 2.2019163 2.2019163 :EIG00071: 2.3174340 2.3174341 2.3174341 2.4748148 2.4748148 :EIG00076: 2.4748148 2.5107181 2.5107181 2.5434591 2.5434591 :EIG00081: 2.5434591 2.7227817 2.7227817 2.7227818 2.7764433 :EIG00086: 2.8885427 2.8885427 2.8885427 2.9033274 2.9310304 :EIG00091: 2.9310304 2.9310304 ******************************************************** :KPT : NUMBER OF K-POINTS: 451