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 0.22727 0.00000 1496 :RKM : MATRIX SIZE 710LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141066 -6.5140866 -6.5140538 -6.5140494 -6.5119979 :EIG00006: -6.5119830 -6.5116754 -6.5116667 -6.5045816 -6.5045769 :EIG00011: -6.5045554 -6.5044795 -5.7619340 -5.7619305 -3.3037162 :EIG00016: -3.3037098 -3.2772399 -3.2772384 -3.2565347 -3.2565315 :EIG00021: -1.5163610 -1.5158836 -1.5103052 -1.5101173 -1.5088259 :EIG00026: -1.5080045 -1.5055336 -1.5049084 -1.5036657 -1.5031336 :EIG00031: -1.5028936 -1.5021433 -1.5019147 -1.5017687 -1.5013375 :EIG00036: -1.5011236 -1.4993768 -1.4988284 -1.4972520 -1.4965590 :EIG00041: -0.2974261 -0.1819402 -0.1138570 -0.0624551 0.2143104 :EIG00046: 0.2446809 0.3220516 0.3894382 0.4573909 0.4942876 :EIG00051: 0.5023280 0.5036965 0.5051997 0.5163296 0.5271621 :EIG00056: 0.5369670 0.5495001 0.5590471 0.7461629 0.7644561 :EIG00061: 0.7891097 0.7969013 0.9129791 0.9231907 0.9972540 :EIG00066: 1.0304144 1.0631106 1.1349159 1.1632966 1.1687575 :EIG00071: 1.2249678 1.2897617 1.3348977 1.3818255 1.4104218 :EIG00076: 1.4137502 1.4308174 1.4568953 1.4954429 1.5430099 :EIG00081: 1.5487803 1.5632929 1.6171437 1.6380294 1.6588969 :EIG00086: 1.6855202 1.7041720 1.7590141 1.7800420 1.8363652 :EIG00091: 1.8380006 1.8700074 1.8987962 1.8993445 1.9618888 :EIG00096: 1.9930617 ******************************************************** :KPT : NUMBER OF K-POINTS: 115