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)= -3.5250 E(BOTTOM)= -3.550 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: -3.5286143 -3.5286143 -3.5213836 -3.5213836 -3.5199334 :EIG00006: -3.5183325 -2.2576909 -2.2576656 -2.2564529 -2.2563638 :EIG00011: -2.2562093 -2.2562093 -2.2559650 -2.2559650 -2.2548602 :EIG00016: -2.2548183 -0.4891271 -0.3861257 0.0060135 0.1523171 :EIG00021: 0.1876424 0.1876424 0.2049310 0.2764564 0.2764564 :EIG00026: 0.2857166 0.3171807 0.3712832 0.3895402 0.3895402 :EIG00031: 0.4148946 0.4576780 0.5913170 0.5913170 0.6902057 :EIG00036: 0.7933150 0.7967053 0.8608703 0.8608703 0.8679129 :EIG00041: 1.1334387 1.1475651 1.1559468 1.3370452 1.3370452 :EIG00046: 1.3715471 1.4052136 1.4335063 1.4335063 1.4612363 :EIG00051: 1.5464485 1.5464485 1.6408026 1.6982002 1.7050040 :EIG00056: 1.7050040 1.7077100 1.7299020 1.7629292 1.8655938 :EIG00061: 1.9272905 1.9272905 ******************************************************** :KPT : NUMBER OF K-POINTS: 728