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= 0.45833 0.36364 0.00000 3221 :RKM : MATRIX SIZE 714LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140856 -6.5140827 -6.5140708 -6.5140665 -6.5120028 :EIG00006: -6.5120019 -6.5116692 -6.5116637 -6.5045752 -6.5045677 :EIG00011: -6.5045306 -6.5045191 -5.7619271 -5.7619267 -3.3037057 :EIG00016: -3.3037042 -3.2772429 -3.2772413 -3.2565211 -3.2565204 :EIG00021: -1.5161812 -1.5161247 -1.5103800 -1.5103139 -1.5085011 :EIG00026: -1.5083822 -1.5053195 -1.5052784 -1.5034491 -1.5033021 :EIG00031: -1.5028396 -1.5027208 -1.5016332 -1.5015909 -1.5013977 :EIG00036: -1.5013641 -1.4989814 -1.4989165 -1.4969750 -1.4968840 :EIG00041: -0.2318063 -0.2139522 -0.1478030 -0.1330529 0.2741854 :EIG00046: 0.2930015 0.3931465 0.4252657 0.4712227 0.4792770 :EIG00051: 0.4921346 0.4930269 0.5145068 0.5157098 0.5170942 :EIG00056: 0.5220361 0.5388828 0.5450322 0.6981340 0.7029673 :EIG00061: 0.8323471 0.8462924 0.8791050 0.9077770 0.9381951 :EIG00066: 0.9597841 1.0403574 1.0861551 1.1580962 1.1630991 :EIG00071: 1.2401193 1.2634898 1.3260637 1.3405285 1.4363273 :EIG00076: 1.4416885 1.4803975 1.4909972 1.5536947 1.5681396 :EIG00081: 1.6362312 1.6397572 1.6605997 1.6785411 1.6995442 :EIG00086: 1.7298841 1.7306577 1.7619682 1.7993082 1.8060213 :EIG00091: 1.8644911 1.8759766 1.8866192 1.9106477 1.9386344 :EIG00096: 1.9650307 1.9998369 ******************************************************** :KPT : NUMBER OF K-POINTS: 115