ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :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)= -3.5225 E(BOTTOM)= -3.545 E(TOP)= -3.500 LOCAL ORBITAL :E2_0001: E( 2)= 0.2800 E(BOTTOM)= 0.070 E(TOP)= 0.490 APW+lo :E0_0001: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Te :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E2_0002: E( 2)= -2.2750 E(BOTTOM)= -2.380 E(TOP)= -2.170 APW+lo :E2_0002: E( 2)= 0.3000 LOCAL ORBITAL :E0_0002: E( 0)= -0.8400 E(BOTTOM)= -1.280 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 491LOs: 54 RKM= 7.97 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.5271192 -3.5271192 -3.5198849 -3.5198849 -3.5185962 :EIG00006: -3.5169942 -2.2578081 -2.2577830 -2.2565742 -2.2564851 :EIG00011: -2.2563329 -2.2563329 -2.2560889 -2.2560889 -2.2549877 :EIG00016: -2.2549457 -0.4891739 -0.3861792 0.0060738 0.1529613 :EIG00021: 0.1883442 0.1883442 0.2059989 0.2769394 0.2769394 :EIG00026: 0.2865648 0.3181574 0.3725652 0.3902188 0.3902188 :EIG00031: 0.4162781 0.4577320 0.5916914 0.5916914 0.6902167 :EIG00036: 0.7936340 0.7969441 0.8609411 0.8609411 0.8679616 :EIG00041: 1.1335802 1.1476511 1.1560532 1.3370969 1.3370969 :EIG00046: 1.3714743 1.4052923 1.4335318 1.4335318 1.4612150 :EIG00051: 1.5465536 1.5465536 1.6407430 1.6982367 1.7050122 :EIG00056: 1.7050122 1.7077886 1.7301552 1.7628272 1.8655941 :EIG00061: 1.9274595 1.9274595 ******************************************************** :KPT : NUMBER OF K-POINTS: 728