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: -3.1597197 -3.1597197 -3.1597197 -3.1557317 -3.1450545 :EIG00006: -3.1450545 -3.1450545 -3.1413784 -3.1413784 -3.1400256 :EIG00011: -3.1400256 -3.1400256 -0.1815451 0.2045928 0.2045928 :EIG00016: 0.2045928 0.4031342 0.4031342 0.4031342 0.5096937 :EIG00021: 0.5096937 0.5096937 0.5372146 0.5570065 0.5570065 :EIG00026: 0.5735403 0.5735403 0.5735403 0.6173982 0.6173982 :EIG00031: 0.6173982 0.7211350 0.7211350 0.7211350 0.7314792 :EIG00036: 0.7314792 0.7855291 0.7855291 0.7855291 0.9736384 :EIG00041: 0.9736384 0.9736384 1.0151586 1.0151586 1.0599037 :EIG00046: 1.0599037 1.0599037 1.1730126 1.2531093 1.2531093 :EIG00051: 1.2531093 1.3937012 1.3937012 1.3937012 1.4904718 :EIG00056: 1.5382062 1.5426539 1.5426539 1.5426539 1.8747375 :EIG00061: 1.8747375 2.0495351 2.0495351 2.0495351 2.1078069 :EIG00066: 2.1495614 2.1495614 2.2018929 2.2018929 2.2018929 :EIG00071: 2.3174286 2.3174286 2.3174286 2.4748096 2.4748096 :EIG00076: 2.4748096 2.5106864 2.5106864 2.5434637 2.5434637 :EIG00081: 2.5434637 2.7227947 2.7227947 2.7227947 2.7764209 :EIG00086: 2.8885807 2.8885807 2.8885807 2.9033402 2.9310369 :EIG00091: 2.9310369 2.9310369 ******************************************************** :KPT : NUMBER OF K-POINTS: 9020