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= 0.41667 0.45455 0.00000 2991 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140864 -6.5140850 -6.5140700 -6.5140695 -6.5120036 :EIG00006: -6.5120026 -6.5116684 -6.5116674 -6.5045700 -6.5045667 :EIG00011: -6.5045358 -6.5045285 -5.7619272 -5.7619269 -3.3037062 :EIG00016: -3.3037058 -3.2772431 -3.2772429 -3.2565219 -3.2565219 :EIG00021: -1.5161565 -1.5161263 -1.5103075 -1.5102912 -1.5084937 :EIG00026: -1.5084406 -1.5053437 -1.5053008 -1.5033402 -1.5031565 :EIG00031: -1.5030209 -1.5028376 -1.5016258 -1.5016136 -1.5014648 :EIG00036: -1.5014521 -1.4989695 -1.4989348 -1.4969954 -1.4969468 :EIG00041: -0.2270609 -0.2138453 -0.1511347 -0.1398839 0.2976504 :EIG00046: 0.3162625 0.3852998 0.4146976 0.4542133 0.4630839 :EIG00051: 0.4917231 0.4923318 0.5154191 0.5162324 0.5204087 :EIG00056: 0.5238426 0.5395665 0.5439106 0.6893545 0.6919620 :EIG00061: 0.8350936 0.8442445 0.8825781 0.9017891 0.9414953 :EIG00066: 0.9560292 1.0590691 1.0944010 1.1591834 1.1623471 :EIG00071: 1.2425768 1.2636994 1.3252181 1.3414816 1.4659831 :EIG00076: 1.4814727 1.4989772 1.5074886 1.5863685 1.6055914 :EIG00081: 1.6190104 1.6365577 1.6398460 1.6607197 1.6661806 :EIG00086: 1.6912192 1.7064329 1.7312185 1.7578488 1.7671356 :EIG00091: 1.8389552 1.8556208 1.8759958 1.8891697 1.9425256 :EIG00096: 1.9550552 ******************************************************** :KPT : NUMBER OF K-POINTS: 115