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)= -3.1590 E(BOTTOM)= -3.221 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: -3.1577945 -3.1577945 -3.1577945 -3.1537956 -3.1437008 :EIG00006: -3.1437008 -3.1437008 -3.1400207 -3.1400207 -3.1386617 :EIG00011: -3.1386617 -3.1386617 -0.1816504 0.2045504 0.2045504 :EIG00016: 0.2045504 0.4032897 0.4032897 0.4032897 0.5103446 :EIG00021: 0.5103446 0.5103446 0.5381923 0.5577612 0.5577612 :EIG00026: 0.5743890 0.5743890 0.5743890 0.6180253 0.6180253 :EIG00031: 0.6180253 0.7222187 0.7222187 0.7222187 0.7325421 :EIG00036: 0.7325421 0.7868532 0.7868532 0.7868532 0.9742334 :EIG00041: 0.9742334 0.9742334 1.0157639 1.0157639 1.0603526 :EIG00046: 1.0603526 1.0603526 1.1732093 1.2533410 1.2533410 :EIG00051: 1.2533410 1.3936169 1.3936169 1.3936169 1.4905957 :EIG00056: 1.5382378 1.5427052 1.5427052 1.5427052 1.8746576 :EIG00061: 1.8746576 2.0495356 2.0495356 2.0495356 2.1079474 :EIG00066: 2.1494564 2.1494564 2.2017692 2.2017692 2.2017692 :EIG00071: 2.3173640 2.3173640 2.3173640 2.4747629 2.4747629 :EIG00076: 2.4747629 2.5105250 2.5105250 2.5434777 2.5434777 :EIG00081: 2.5434777 2.7228437 2.7228437 2.7228437 2.7762381 :EIG00086: 2.8888011 2.8888011 2.8888011 2.9034504 2.9310907 :EIG00091: 2.9310908 2.9310908 ******************************************************** :KPT : NUMBER OF K-POINTS: 451