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= 0.25000 0.22727 0.42222 1791 :RKM : MATRIX SIZE 703LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142220 -6.5142183 -6.5141970 -6.5141961 -6.5119831 :EIG00006: -6.5119807 -6.5116700 -6.5116630 -6.5045778 -6.5045464 :EIG00011: -6.5045187 -6.5044821 -5.7618518 -5.7618509 -3.3048424 :EIG00016: -3.3048396 -3.2771255 -3.2771246 -3.2564151 -3.2564139 :EIG00021: -1.5118340 -1.5114676 -1.5109014 -1.5105164 -1.5077844 :EIG00026: -1.5075823 -1.5047583 -1.5046540 -1.5043729 -1.5041990 :EIG00031: -1.5023064 -1.5019775 -1.5015921 -1.5014640 -1.4996061 :EIG00036: -1.4994949 -1.4987648 -1.4985406 -1.4968833 -1.4967430 :EIG00041: -0.1172975 -0.0569801 0.0295123 0.0412344 0.2202731 :EIG00046: 0.2670979 0.3079666 0.3370374 0.3745473 0.4171327 :EIG00051: 0.4335259 0.4573148 0.4680678 0.4806843 0.4913076 :EIG00056: 0.5020398 0.5390972 0.5491511 0.6543279 0.6574532 :EIG00061: 0.6882682 0.7201598 0.7384952 0.7871934 0.8414035 :EIG00066: 0.8868147 0.9623664 1.0229472 1.0266753 1.1222376 :EIG00071: 1.1236515 1.1656377 1.1807804 1.2782447 1.2909006 :EIG00076: 1.3907552 1.4208066 1.4272384 1.4924938 1.5194565 :EIG00081: 1.5707472 1.5908651 1.6229117 1.7076615 1.7099436 :EIG00086: 1.7799262 1.8403263 1.8782207 1.9223888 1.9865046 ******************************************************** :KPT : NUMBER OF K-POINTS: 358