ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :e__0001: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3310 APW+lo :E0_0001: E( 0)= -5.7460 E(BOTTOM)= -5.754 E(TOP)= -5.738 LOCAL ORBITAL :E1_0001: E( 1)= 0.4390 APW+lo :E1_0001: E( 1)= -3.2580 E(BOTTOM)= -3.283 E(TOP)= -3.233 LOCAL ORBITAL :E2_0001: E( 2)= 0.5080 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sb :e__0002: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3790 APW+lo :E0_0002: E( 0)= -0.0850 LOCAL ORBITAL :E1_0002: E( 1)= 0.4130 APW+lo :E1_0002: E( 1)= -6.5210 E(BOTTOM)= -6.543 E(TOP)= -6.499 LOCAL ORBITAL :E2_0002: E( 2)= 0.4760 APW+lo :E2_0002: E( 2)= -1.5040 LOCAL ORBITAL K= 0.50000 0.50000 0.42222 3585 :RKM : MATRIX SIZE 706LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5203815 -6.5203815 -6.5203456 -6.5203456 -6.5177927 :EIG00006: -6.5177927 -6.5174887 -6.5174887 -6.5110367 -6.5110367 :EIG00011: -6.5110071 -6.5110071 -5.7435411 -5.7435411 -3.2676961 :EIG00016: -3.2676961 -3.2557886 -3.2557886 -3.2329301 -3.2329301 :EIG00021: -1.5123138 -1.5123138 -1.5112568 -1.5112568 -1.5085459 :EIG00026: -1.5085459 -1.5059304 -1.5059304 -1.5052658 -1.5052658 :EIG00031: -1.5030169 -1.5030169 -1.5025576 -1.5025576 -1.5005825 :EIG00036: -1.5005825 -1.4993425 -1.4993425 -1.4978786 -1.4978786 :EIG00041: -0.0643406 -0.0643406 0.0226261 0.0226261 0.2479469 :EIG00046: 0.2479469 0.2682615 0.2682615 0.4511429 0.4511429 :EIG00051: 0.4521446 0.4521446 0.5266115 0.5266115 0.5404016 :EIG00056: 0.5404016 0.5996025 0.5996025 0.6149985 0.6149985 :EIG00061: 0.7375160 0.7375160 0.8224899 0.8224899 0.8419324 :EIG00066: 0.8419324 0.9943458 0.9943458 1.0164347 1.0164347 :EIG00071: 1.1166942 1.1166942 1.1181577 1.1181577 1.3977097 :EIG00076: 1.3977097 1.4202389 1.4202389 1.5357090 1.5357090 :EIG00081: 1.6019463 1.6019463 1.7195467 1.7195467 1.7772860 :EIG00086: 1.7772860 1.9615164 1.9615164 1.9920532 1.9920532 ******************************************************** :KPT : NUMBER OF K-POINTS: 4