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: -3.1602934 -3.1602934 -3.1602934 -3.1563092 -3.1453626 :EIG00006: -3.1453626 -3.1453626 -3.1416871 -3.1416871 -3.1403368 :EIG00011: -3.1403368 -3.1403368 -0.1815116 0.2046092 0.2046092 :EIG00016: 0.2046092 0.4030880 0.4030880 0.4030880 0.5095175 :EIG00021: 0.5095175 0.5095175 0.5369268 0.5568065 0.5568065 :EIG00026: 0.5733397 0.5733397 0.5733397 0.6172632 0.6172632 :EIG00031: 0.6172632 0.7208484 0.7208484 0.7208484 0.7312420 :EIG00036: 0.7312420 0.7851730 0.7851730 0.7851730 0.9734752 :EIG00041: 0.9734752 0.9734752 1.0150081 1.0150081 1.0598099 :EIG00046: 1.0598099 1.0598099 1.1729537 1.2530429 1.2530429 :EIG00051: 1.2530429 1.3937300 1.3937300 1.3937300 1.4904261 :EIG00056: 1.5381944 1.5426560 1.5426560 1.5426560 1.8747703 :EIG00061: 1.8747703 2.0495465 2.0495465 2.0495465 2.1077730 :EIG00066: 2.1495966 2.1495966 2.2019282 2.2019282 2.2019282 :EIG00071: 2.3174457 2.3174457 2.3174457 2.4748232 2.4748232 :EIG00076: 2.4748232 2.5107368 2.5107368 2.5434647 2.5434648 :EIG00081: 2.5434648 2.7227875 2.7227875 2.7227875 2.7764705 :EIG00086: 2.8885321 2.8885321 2.8885321 2.9033132 2.9310327 :EIG00091: 2.9310327 2.9310327 ******************************************************** :KPT : NUMBER OF K-POINTS: 451