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)= -3.1600 E(BOTTOM)= -3.221 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: -3.1600494 -3.1600494 -3.1600494 -3.1560632 -3.1453000 :EIG00006: -3.1453000 -3.1453000 -3.1416246 -3.1416246 -3.1402728 :EIG00011: -3.1402728 -3.1402728 -0.1815217 0.2046047 0.2046047 :EIG00016: 0.2046047 0.4031044 0.4031044 0.4031044 0.5095854 :EIG00021: 0.5095854 0.5095854 0.5370437 0.5568788 0.5568788 :EIG00026: 0.5733887 0.5733887 0.5733887 0.6172883 0.6172883 :EIG00031: 0.6172883 0.7209408 0.7209408 0.7209408 0.7312836 :EIG00036: 0.7312836 0.7853040 0.7853040 0.7853040 0.9735415 :EIG00041: 0.9735415 0.9735415 1.0150576 1.0150576 1.0598224 :EIG00046: 1.0598224 1.0598224 1.1729756 1.2530647 1.2530647 :EIG00051: 1.2530647 1.3937210 1.3937210 1.3937210 1.4904500 :EIG00056: 1.5381998 1.5426494 1.5426494 1.5426494 1.8747558 :EIG00061: 1.8747558 2.0495423 2.0495423 2.0495423 2.1077938 :EIG00066: 2.1495872 2.1495872 2.2019180 2.2019180 2.2019180 :EIG00071: 2.3174394 2.3174394 2.3174394 2.4748175 2.4748175 :EIG00076: 2.4748175 2.5107200 2.5107200 2.5434625 2.5434625 :EIG00081: 2.5434625 2.7227873 2.7227873 2.7227873 2.7764521 :EIG00086: 2.8885470 2.8885470 2.8885470 2.9033254 2.9310347 :EIG00091: 2.9310347 2.9310347 ******************************************************** :KPT : NUMBER OF K-POINTS: 9020