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: -3.1597140 -3.1597140 -3.1597140 -3.1557262 -3.1450251 :EIG00006: -3.1450251 -3.1450251 -3.1413489 -3.1413489 -3.1399964 :EIG00011: -3.1399964 -3.1399964 -0.1815550 0.2045815 0.2045815 :EIG00016: 0.2045815 0.4031358 0.4031358 0.4031358 0.5096947 :EIG00021: 0.5096947 0.5096947 0.5372239 0.5570127 0.5570127 :EIG00026: 0.5735610 0.5735610 0.5735610 0.6174138 0.6174138 :EIG00031: 0.6174138 0.7211518 0.7211518 0.7211518 0.7315075 :EIG00036: 0.7315075 0.7855395 0.7855395 0.7855395 0.9736299 :EIG00041: 0.9736299 0.9736299 1.0151582 1.0151582 1.0599102 :EIG00046: 1.0599102 1.0599102 1.1730115 1.2531147 1.2531147 :EIG00051: 1.2531147 1.3936915 1.3936915 1.3936915 1.4904601 :EIG00056: 1.5382056 1.5426441 1.5426441 1.5426441 1.8747299 :EIG00061: 1.8747299 2.0495224 2.0495224 2.0495224 2.1078017 :EIG00066: 2.1495481 2.1495481 2.2018771 2.2018771 2.2018771 :EIG00071: 2.3174230 2.3174230 2.3174230 2.4748068 2.4748068 :EIG00076: 2.4748068 2.5106715 2.5106715 2.5434620 2.5434620 :EIG00081: 2.5434620 2.7227905 2.7227905 2.7227905 2.7764168 :EIG00086: 2.8885813 2.8885813 2.8885813 2.9033333 2.9310275 :EIG00091: 2.9310275 2.9310275 ******************************************************** :KPT : NUMBER OF K-POINTS: 451