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: -3.1538607 -3.1538607 -3.1538607 -3.1498117 -3.1432384 :EIG00006: -3.1432384 -3.1432384 -3.1395548 -3.1395548 -3.1381574 :EIG00011: -3.1381574 -3.1381574 -0.1814901 0.2047916 0.2047916 :EIG00016: 0.2047916 0.4034238 0.4034238 0.4034238 0.5116322 :EIG00021: 0.5116322 0.5116322 0.5398492 0.5589267 0.5589267 :EIG00026: 0.5747927 0.5747927 0.5747927 0.6182092 0.6182092 :EIG00031: 0.6182092 0.7232423 0.7232423 0.7232423 0.7325298 :EIG00036: 0.7325298 0.7889598 0.7889598 0.7889598 0.9756813 :EIG00041: 0.9756813 0.9756813 1.0167510 1.0167510 1.0604132 :EIG00046: 1.0604132 1.0604132 1.1735042 1.2533836 1.2533836 :EIG00051: 1.2533836 1.3937585 1.3937585 1.3937585 1.4912573 :EIG00056: 1.5382669 1.5429557 1.5429557 1.5429557 1.8746768 :EIG00061: 1.8746768 2.0499527 2.0499527 2.0499527 2.1086229 :EIG00066: 2.1497317 2.1497317 2.2020609 2.2020609 2.2020609 :EIG00071: 2.3173084 2.3173084 2.3173084 2.4746972 2.4746972 :EIG00076: 2.4746972 2.5106881 2.5106881 2.5434332 2.5434332 :EIG00081: 2.5434332 2.7229085 2.7229085 2.7229085 2.7759068 :EIG00086: 2.8892287 2.8892287 2.8892287 2.9040377 2.9315534 :EIG00091: 2.9315534 2.9315534 ******************************************************** :KPT : NUMBER OF K-POINTS: 584