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: -3.1589225 -3.1589225 -3.1589225 -3.1549299 -3.1444909 :EIG00006: -3.1444909 -3.1444909 -3.1408129 -3.1408129 -3.1394576 :EIG00011: -3.1394576 -3.1394576 -0.1815883 0.2045763 0.2045763 :EIG00016: 0.2045763 0.4032005 0.4032005 0.4032005 0.5099654 :EIG00021: 0.5099654 0.5099654 0.5376217 0.5573208 0.5573208 :EIG00026: 0.5738934 0.5738934 0.5738934 0.6176598 0.6176598 :EIG00031: 0.6176598 0.7215871 0.7215871 0.7215871 0.7319236 :EIG00036: 0.7319236 0.7860783 0.7860783 0.7860783 0.9738843 :EIG00041: 0.9738843 0.9738843 1.0154091 1.0154091 1.0600909 :EIG00046: 1.0600909 1.0600909 1.1730948 1.2532071 1.2532071 :EIG00051: 1.2532071 1.3936668 1.3936668 1.3936668 1.4905243 :EIG00056: 1.5382194 1.5426746 1.5426746 1.5426746 1.8747049 :EIG00061: 1.8747049 2.0495346 2.0495346 2.0495346 2.1078646 :EIG00066: 2.1495183 2.1495183 2.2018424 2.2018424 2.2018424 :EIG00071: 2.3174026 2.3174026 2.3174026 2.4747909 2.4747909 :EIG00076: 2.4747909 2.5106195 2.5106195 2.5434705 2.5434705 :EIG00081: 2.5434705 2.7228158 2.7228158 2.7228158 2.7763445 :EIG00086: 2.8886716 2.8886716 2.8886716 2.9033870 2.9310588 :EIG00091: 2.9310588 2.9310588 ******************************************************** :KPT : NUMBER OF K-POINTS: 451