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: -3.1595008 -3.1595008 -3.1595008 -3.1555114 -3.1449147 :EIG00006: -3.1449147 -3.1449147 -3.1412381 -3.1412381 -3.1398845 :EIG00011: -3.1398845 -3.1398845 -0.1815583 0.2045857 0.2045857 :EIG00016: 0.2045857 0.4031514 0.4031514 0.4031514 0.5097673 :EIG00021: 0.5097673 0.5097673 0.5373265 0.5570901 0.5570901 :EIG00026: 0.5736302 0.5736302 0.5736302 0.6174633 0.6174633 :EIG00031: 0.6174633 0.7212528 0.7212528 0.7212528 0.7315887 :EIG00036: 0.7315887 0.7856754 0.7856754 0.7856754 0.9737017 :EIG00041: 0.9737017 0.9737017 1.0152216 1.0152216 1.0599471 :EIG00046: 1.0599471 1.0599471 1.1730325 1.2531341 1.2531341 :EIG00051: 1.2531341 1.3936898 1.3936898 1.3936898 1.4904849 :EIG00056: 1.5382088 1.5426540 1.5426540 1.5426540 1.8747258 :EIG00061: 1.8747258 2.0495316 2.0495316 2.0495316 2.1078235 :EIG00066: 2.1495473 2.1495473 2.2018765 2.2018765 2.2018765 :EIG00071: 2.3174189 2.3174189 2.3174189 2.4748029 2.4748029 :EIG00076: 2.4748029 2.5106647 2.5106647 2.5434636 2.5434636 :EIG00081: 2.5434636 2.7227969 2.7227969 2.7227969 2.7763971 :EIG00086: 2.8886038 2.8886038 2.8886038 2.9033523 2.9310401 :EIG00091: 2.9310401 2.9310401 ******************************************************** :KPT : NUMBER OF K-POINTS: 451