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: -3.1590876 -3.1590876 -3.1590876 -3.1550958 -3.1446257 :EIG00006: -3.1446257 -3.1446257 -3.1409481 -3.1409481 -3.1395932 :EIG00011: -3.1395932 -3.1395932 -0.1815759 0.2045827 0.2045827 :EIG00016: 0.2045827 0.4031854 0.4031854 0.4031854 0.5099102 :EIG00021: 0.5099102 0.5099102 0.5375337 0.5572540 0.5572540 :EIG00026: 0.5738097 0.5738097 0.5738097 0.6175969 0.6175969 :EIG00031: 0.6175969 0.7214834 0.7214834 0.7214834 0.7318139 :EIG00036: 0.7318139 0.7859613 0.7859613 0.7859613 0.9738352 :EIG00041: 0.9738352 0.9738352 1.0153559 1.0153559 1.0600450 :EIG00046: 1.0600450 1.0600450 1.1730757 1.2531820 1.2531820 :EIG00051: 1.2531820 1.3936770 1.3936770 1.3936770 1.4905174 :EIG00056: 1.5382148 1.5426713 1.5426713 1.5426713 1.8747134 :EIG00061: 1.8747134 2.0495390 2.0495390 2.0495390 2.1078550 :EIG00066: 2.1495317 2.1495317 2.2018582 2.2018582 2.2018582 :EIG00071: 2.3174076 2.3174076 2.3174076 2.4747946 2.4747946 :EIG00076: 2.4747946 2.5106376 2.5106376 2.5434680 2.5434680 :EIG00081: 2.5434680 2.7228106 2.7228106 2.7228106 2.7763580 :EIG00086: 2.8886529 2.8886529 2.8886529 2.9033818 2.9310577 :EIG00091: 2.9310577 2.9310577 ******************************************************** :KPT : NUMBER OF K-POINTS: 451