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)= -3.1570 E(BOTTOM)= -3.219 E(TOP)= -3.095 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: -3.1550193 -3.1550193 -3.1550193 -3.1509932 -3.1428275 :EIG00006: -3.1428275 -3.1428275 -3.1391439 -3.1391439 -3.1377652 :EIG00011: -3.1377652 -3.1377652 -0.1816250 0.2046430 0.2046430 :EIG00016: 0.2046430 0.4034230 0.4034230 0.4034230 0.5112627 :EIG00021: 0.5112627 0.5112627 0.5394341 0.5586736 0.5586736 :EIG00026: 0.5749902 0.5749902 0.5749902 0.6184148 0.6184148 :EIG00031: 0.6184148 0.7232161 0.7232161 0.7232161 0.7330475 :EIG00036: 0.7330475 0.7884865 0.7884865 0.7884865 0.9752032 :EIG00041: 0.9752032 0.9752032 1.0165248 1.0165248 1.0605980 :EIG00046: 1.0605980 1.0605980 1.1734381 1.2534660 1.2534660 :EIG00051: 1.2534660 1.3936442 1.3936442 1.3936442 1.4909638 :EIG00056: 1.5382613 1.5428506 1.5428506 1.5428506 1.8746297 :EIG00061: 1.8746297 2.0497371 2.0497371 2.0497371 2.1083330 :EIG00066: 2.1495372 2.1495372 2.2018464 2.2018464 2.2018464 :EIG00071: 2.3173032 2.3173032 2.3173032 2.4747068 2.4747068 :EIG00076: 2.4747068 2.5105261 2.5105261 2.5434621 2.5434621 :EIG00081: 2.5434621 2.7228970 2.7228970 2.7228970 2.7759912 :EIG00086: 2.8891116 2.8891116 2.8891116 2.9037811 2.9313372 :EIG00091: 2.9313372 2.9313372 ******************************************************** :KPT : NUMBER OF K-POINTS: 584