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)= -3.1580 E(BOTTOM)= -3.219 E(TOP)= -3.097 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: -3.1569507 -3.1569507 -3.1569507 -3.1529461 -3.1432156 :EIG00006: -3.1432156 -3.1432156 -3.1395340 -3.1395340 -3.1381714 :EIG00011: -3.1381714 -3.1381714 -0.1816774 0.2045480 0.2045480 :EIG00016: 0.2045480 0.4033473 0.4033473 0.4033473 0.5106274 :EIG00021: 0.5106274 0.5106274 0.5386013 0.5580738 0.5580738 :EIG00026: 0.5746978 0.5746978 0.5746978 0.6182478 0.6182478 :EIG00031: 0.6182478 0.7226342 0.7226342 0.7226342 0.7329026 :EIG00036: 0.7329026 0.7874069 0.7874069 0.7874069 0.9745079 :EIG00041: 0.9745079 0.9745079 1.0160206 1.0160206 1.0605100 :EIG00046: 1.0605100 1.0605100 1.1732897 1.2534193 1.2534193 :EIG00051: 1.2534193 1.3935961 1.3935961 1.3935961 1.4906695 :EIG00056: 1.5382486 1.5427373 1.5427373 1.5427373 1.8746324 :EIG00061: 1.8746324 2.0495594 2.0495594 2.0495594 2.1080291 :EIG00066: 2.1494353 2.1494353 2.2017421 2.2017421 2.2017421 :EIG00071: 2.3173388 2.3173388 2.3173388 2.4747433 2.4747433 :EIG00076: 2.4747433 2.5104795 2.5104795 2.5434803 2.5434803 :EIG00081: 2.5434803 2.7228633 2.7228633 2.7228633 2.7761602 :EIG00086: 2.8888987 2.8888987 2.8888987 2.9035163 2.9311333 :EIG00091: 2.9311333 2.9311333 ******************************************************** :KPT : NUMBER OF K-POINTS: 451