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= 0.29167 0.27273 0.00000 2071 :RKM : MATRIX SIZE 712LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141010 -6.5140841 -6.5140611 -6.5140531 -6.5120007 :EIG00006: -6.5119844 -6.5116762 -6.5116685 -6.5045804 -6.5045744 :EIG00011: -6.5045471 -6.5044943 -5.7619282 -5.7619259 -3.3037079 :EIG00016: -3.3037035 -3.2772434 -3.2772414 -3.2565240 -3.2565210 :EIG00021: -1.5162796 -1.5159921 -1.5103102 -1.5101316 -1.5087081 :EIG00026: -1.5081365 -1.5055193 -1.5050489 -1.5036817 -1.5031554 :EIG00031: -1.5029136 -1.5022441 -1.5018048 -1.5017432 -1.5013492 :EIG00036: -1.5012223 -1.4992940 -1.4989099 -1.4971089 -1.4966210 :EIG00041: -0.2793310 -0.1914503 -0.1333175 -0.0782738 0.2192702 :EIG00046: 0.2820143 0.3261503 0.4161864 0.4657279 0.4932715 :EIG00051: 0.4994843 0.5002183 0.5077146 0.5162271 0.5211045 :EIG00056: 0.5351401 0.5416395 0.5553213 0.7385546 0.7541583 :EIG00061: 0.7963005 0.8146471 0.8965506 0.9229193 0.9663789 :EIG00066: 1.0074602 1.0142011 1.1218996 1.1490776 1.1792376 :EIG00071: 1.2358615 1.2754346 1.3171689 1.3547726 1.4221802 :EIG00076: 1.4355168 1.4679930 1.4745810 1.5459556 1.5613191 :EIG00081: 1.5627624 1.5837012 1.6330630 1.6483169 1.6613622 :EIG00086: 1.7432942 1.7516056 1.7688473 1.7711041 1.8416666 :EIG00091: 1.8430332 1.8626173 1.8847737 1.9165378 1.9462553 :EIG00096: 1.9464358 ******************************************************** :KPT : NUMBER OF K-POINTS: 115