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: -3.1570744 -3.1570744 -3.1570744 -3.1530700 -3.1433658 :EIG00006: -3.1433658 -3.1433658 -3.1396846 -3.1396846 -3.1383219 :EIG00011: -3.1383219 -3.1383219 -0.1816587 0.2045624 0.2045624 :EIG00016: 0.2045624 0.4033338 0.4033338 0.4033338 0.5105847 :EIG00021: 0.5105847 0.5105847 0.5385281 0.5580158 0.5580158 :EIG00026: 0.5746056 0.5746056 0.5746056 0.6181766 0.6181766 :EIG00031: 0.6181766 0.7225324 0.7225324 0.7225324 0.7327747 :EIG00036: 0.7327747 0.7873055 0.7873055 0.7873055 0.9744772 :EIG00041: 0.9744772 0.9744772 1.0159760 1.0159760 1.0604591 :EIG00046: 1.0604591 1.0604591 1.1732747 1.2533932 1.2533932 :EIG00051: 1.2533932 1.3936125 1.3936125 1.3936125 1.4906757 :EIG00056: 1.5382452 1.5427397 1.5427397 1.5427397 1.8746443 :EIG00061: 1.8746443 2.0495731 2.0495731 2.0495731 2.1080294 :EIG00066: 2.1494578 2.1494578 2.2017680 2.2017680 2.2017680 :EIG00071: 2.3173465 2.3173465 2.3173465 2.4747478 2.4747478 :EIG00076: 2.4747478 2.5105061 2.5105061 2.5434788 2.5434788 :EIG00081: 2.5434788 2.7228610 2.7228610 2.7228611 2.7761731 :EIG00086: 2.8888832 2.8888832 2.8888832 2.9035196 2.9311401 :EIG00091: 2.9311401 2.9311401 ******************************************************** :KPT : NUMBER OF K-POINTS: 451