ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe1 :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0001: E( 1)= 0.3000 APW+lo :E1_0001: E( 1)= -3.4200 E(BOTTOM)= -3.455 E(TOP)= -3.385 LOCAL ORBITAL :E2_0001: E( 2)= 0.3850 E(BOTTOM)= 0.140 E(TOP)= 0.630 APW+lo :E0_0001: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM As1 :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E2_0002: E( 2)= -2.0500 E(BOTTOM)= -2.110 E(TOP)= -1.990 APW+lo :E2_0002: E( 2)= 0.3000 LOCAL ORBITAL :E0_0002: E( 0)= -0.8200 E(BOTTOM)= -1.180 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sr1 :e__0003: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0003: E( 0)= 0.3000 APW+lo :E0_0003: E( 0)= -2.0950 E(BOTTOM)= -2.360 E(TOP)= -1.830 LOCAL ORBITAL :E1_0003: E( 1)= -0.7550 E(BOTTOM)= -1.220 E(TOP)= -0.290 APW+lo :E1_0003: E( 1)= 0.3000 LOCAL ORBITAL K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 649LOs: 62 RKM= 7.98 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.4200754 -3.4200754 -3.4144826 -3.4144826 -3.4124365 :EIG00006: -3.4112190 -2.0542884 -2.0435069 -2.0435069 -2.0434444 :EIG00011: -2.0434444 -2.0430940 -2.0428945 -2.0426838 -2.0424933 :EIG00016: -2.0420654 -2.0420319 -0.7356491 -0.7295108 -0.7295108 :EIG00021: -0.3698879 -0.2422926 0.1317072 0.2493189 0.2665058 :EIG00026: 0.2665058 0.3116117 0.3430534 0.3430534 0.4180798 :EIG00031: 0.4222598 0.4640271 0.4840592 0.4840592 0.5094681 :EIG00036: 0.6197218 0.6827476 0.6827476 0.7244103 0.7260294 :EIG00041: 0.8575027 0.8819760 0.8844423 0.9358948 0.9501696 :EIG00046: 0.9501696 1.1346968 1.2025807 1.2025807 1.2270009 :EIG00051: 1.2622097 1.2622097 1.4222081 1.4222081 1.4360118 :EIG00056: 1.4367387 1.4530418 1.5245887 1.5663784 1.8144809 :EIG00061: 1.8927942 1.9161365 1.9563560 1.9563560 1.9976355 :EIG00066: 1.9976355 ******************************************************** :KPT : NUMBER OF K-POINTS: 726