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: -3.1600299 -3.1600299 -3.1600299 -3.1560441 -3.1452255 :EIG00006: -3.1452255 -3.1452255 -3.1415499 -3.1415499 -3.1401986 :EIG00011: -3.1401986 -3.1401986 -0.1814982 0.2046282 0.2046282 :EIG00016: 0.2046282 0.4031340 0.4031340 0.4031340 0.5096141 :EIG00021: 0.5096141 0.5096141 0.5370706 0.5569116 0.5569116 :EIG00026: 0.5734398 0.5734398 0.5734398 0.6173369 0.6173369 :EIG00031: 0.6173369 0.7209861 0.7209861 0.7209861 0.7313515 :EIG00036: 0.7313515 0.7853405 0.7853405 0.7853405 0.9735668 :EIG00041: 0.9735668 0.9735668 1.0150925 1.0150925 1.0598684 :EIG00046: 1.0598684 1.0598684 1.1730060 1.2530964 1.2530964 :EIG00051: 1.2530964 1.3937443 1.3937443 1.3937443 1.4904714 :EIG00056: 1.5382262 1.5426796 1.5426796 1.5426796 1.8747809 :EIG00061: 1.8747809 2.0495669 2.0495669 2.0495669 2.1078172 :EIG00066: 2.1496087 2.1496087 2.2019399 2.2019399 2.2019399 :EIG00071: 2.3174662 2.3174662 2.3174663 2.4748443 2.4748443 :EIG00076: 2.4748443 2.5107418 2.5107418 2.5434915 2.5434915 :EIG00081: 2.5434915 2.7228163 2.7228163 2.7228163 2.7764801 :EIG00086: 2.8885808 2.8885808 2.8885808 2.9033503 2.9310628 :EIG00091: 2.9310628 2.9310628 ******************************************************** :KPT : NUMBER OF K-POINTS: 451