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: -3.1602042 -3.1602042 -3.1602042 -3.1562189 -3.1453651 :EIG00006: -3.1453651 -3.1453651 -3.1416894 -3.1416894 -3.1403382 :EIG00011: -3.1403382 -3.1403382 -0.1814908 0.2046373 0.2046373 :EIG00016: 0.2046373 0.4030918 0.4030918 0.4030918 0.5095508 :EIG00021: 0.5095508 0.5095508 0.5369544 0.5568325 0.5568325 :EIG00026: 0.5733308 0.5733308 0.5733308 0.6172577 0.6172577 :EIG00031: 0.6172577 0.7208643 0.7208643 0.7208643 0.7312269 :EIG00036: 0.7312269 0.7852197 0.7852197 0.7852197 0.9735295 :EIG00041: 0.9735295 0.9735295 1.0150429 1.0150429 1.0598181 :EIG00046: 1.0598181 1.0598181 1.1729655 1.2530405 1.2530405 :EIG00051: 1.2530405 1.3937516 1.3937516 1.3937516 1.4904601 :EIG00056: 1.5381960 1.5426841 1.5426841 1.5426841 1.8747863 :EIG00061: 1.8747863 2.0495803 2.0495803 2.0495803 2.1077980 :EIG00066: 2.1496266 2.1496266 2.2019622 2.2019622 2.2019622 :EIG00071: 2.3174565 2.3174565 2.3174565 2.4748269 2.4748269 :EIG00076: 2.4748269 2.5107667 2.5107667 2.5434708 2.5434708 :EIG00081: 2.5434708 2.7228006 2.7228006 2.7228006 2.7764706 :EIG00086: 2.8885427 2.8885427 2.8885427 2.9033349 2.9310604 :EIG00091: 2.9310604 2.9310604 ******************************************************** :KPT : NUMBER OF K-POINTS: 451