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)= -3.4300 E(BOTTOM)= -3.455 E(TOP)= -3.405 LOCAL ORBITAL :E2_0001: E( 2)= 0.3650 E(BOTTOM)= 0.150 E(TOP)= 0.580 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)= -2.3100 E(BOTTOM)= -2.420 E(TOP)= -2.200 APW+lo :E2_0002: E( 2)= 0.3000 LOCAL ORBITAL :E0_0002: E( 0)= -0.8400 E(BOTTOM)= -1.300 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: -3.4340763 -3.4340763 -3.4274654 -3.4266280 -3.4266280 :EIG00006: -3.4257903 -2.2896741 -2.2896497 -2.2886201 -2.2885361 :EIG00011: -2.2870665 -2.2870665 -2.2868178 -2.2868178 -2.2855729 :EIG00016: -2.2855306 -0.4982534 -0.3980098 0.0135763 0.2036161 :EIG00021: 0.2352416 0.2352416 0.2849753 0.2944276 0.2944276 :EIG00026: 0.3482526 0.3877252 0.4480470 0.4480470 0.4541040 :EIG00031: 0.4602794 0.5051982 0.6078080 0.6078080 0.6944873 :EIG00036: 0.8086843 0.8127107 0.8698264 0.8733638 0.8733638 :EIG00041: 1.1397040 1.1514339 1.1586355 1.3477982 1.3477982 :EIG00046: 1.3537275 1.3918336 1.4209354 1.4209354 1.4595267 :EIG00051: 1.5444377 1.5444377 1.6312774 1.6918831 1.6993929 :EIG00056: 1.6993929 1.7185770 1.7316773 1.7643684 1.8707775 :EIG00061: 1.9315418 1.9315418 ******************************************************** :KPT : NUMBER OF K-POINTS: 330