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: -3.1594377 -3.1594377 -3.1594377 -3.1554480 -3.1448643 :EIG00006: -3.1448643 -3.1448643 -3.1411876 -3.1411876 -3.1398339 :EIG00011: -3.1398339 -3.1398339 -0.1815612 0.2045856 0.2045856 :EIG00016: 0.2045856 0.4031574 0.4031574 0.4031574 0.5097893 :EIG00021: 0.5097893 0.5097893 0.5373600 0.5571151 0.5571151 :EIG00026: 0.5736604 0.5736604 0.5736604 0.6174861 0.6174861 :EIG00031: 0.6174861 0.7212917 0.7212917 0.7212917 0.7316290 :EIG00036: 0.7316290 0.7857193 0.7857193 0.7857193 0.9737232 :EIG00041: 0.9737232 0.9737232 1.0152430 1.0152430 1.0599653 :EIG00046: 1.0599653 1.0599653 1.1730416 1.2531434 1.2531434 :EIG00051: 1.2531434 1.3936874 1.3936874 1.3936874 1.4904910 :EIG00056: 1.5382111 1.5426582 1.5426582 1.5426582 1.8747240 :EIG00061: 1.8747240 2.0495324 2.0495324 2.0495324 2.1078273 :EIG00066: 2.1495444 2.1495444 2.2018742 2.2018742 2.2018742 :EIG00071: 2.3174188 2.3174188 2.3174188 2.4748026 2.4748026 :EIG00076: 2.4748026 2.5106608 2.5106608 2.5434647 2.5434647 :EIG00081: 2.5434647 2.7228001 2.7228001 2.7228001 2.7763934 :EIG00086: 2.8886111 2.8886111 2.8886111 2.9033567 2.9310428 :EIG00091: 2.9310428 2.9310428 ******************************************************** :KPT : NUMBER OF K-POINTS: 451