LDA+U potential added for atom type 1 L= 2 spin up 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)= -5.7640 E(BOTTOM)= -5.772 E(TOP)= -5.756 LOCAL ORBITAL :E1_0001: E( 1)= 0.4390 APW+lo :E1_0001: E( 1)= -3.2850 E(BOTTOM)= -3.309 E(TOP)= -3.261 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)= -6.5150 E(BOTTOM)= -6.537 E(TOP)= -6.493 LOCAL ORBITAL :E2_0002: E( 2)= 0.4760 APW+lo :E2_0002: E( 2)= -1.5040 LOCAL ORBITAL K= 0.20833 0.00000 0.00000 1381 :RKM : MATRIX SIZE 718LOs: 98 RKM= 8.00 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141083 -6.5140939 -6.5140571 -6.5140565 -6.5119956 :EIG00006: -6.5119881 -6.5116867 -6.5116695 -6.5045875 -6.5045857 :EIG00011: -6.5045626 -6.5044674 -5.7619347 -5.7619301 -3.3037186 :EIG00016: -3.3037098 -3.2772401 -3.2772394 -3.2565348 -3.2565338 :EIG00021: -1.5164592 -1.5159319 -1.5103127 -1.5100570 -1.5090073 :EIG00026: -1.5079442 -1.5056758 -1.5049081 -1.5037013 -1.5033806 :EIG00031: -1.5028772 -1.5021043 -1.5020730 -1.5019696 -1.5012486 :EIG00036: -1.5011313 -1.4995544 -1.4988827 -1.4971770 -1.4964874 :EIG00041: -0.3099712 -0.1534263 -0.0973969 -0.0824861 0.2096411 :EIG00046: 0.2418344 0.2591312 0.4353135 0.4611002 0.4796375 :EIG00051: 0.4967131 0.4979614 0.5108637 0.5149200 0.5295842 :EIG00056: 0.5385331 0.5546913 0.5641686 0.7120080 0.7725960 :EIG00061: 0.8323409 0.8742209 0.9158668 0.9591181 0.9990182 :EIG00066: 1.0197184 1.0330956 1.0925779 1.1345204 1.2346754 :EIG00071: 1.2350643 1.2523092 1.2900017 1.3798880 1.3845594 :EIG00076: 1.4023388 1.4349333 1.4397698 1.4768019 1.4924826 :EIG00081: 1.4963368 1.5391074 1.5580966 1.6972490 1.7064298 :EIG00086: 1.7073476 1.7184476 1.7209435 1.7568747 1.8739496 :EIG00091: 1.9068656 1.9524959 1.9541089 1.9772226 1.9837890 ******************************************************** :KPT : NUMBER OF K-POINTS: 115