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 0.13636 0.00000 3106 :RKM : MATRIX SIZE 721LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140937 -6.5140869 -6.5140714 -6.5140660 -6.5119974 :EIG00006: -6.5119946 -6.5116834 -6.5116792 -6.5045891 -6.5045887 :EIG00011: -6.5045262 -6.5045109 -5.7619328 -5.7619320 -3.3037151 :EIG00016: -3.3037136 -3.2772427 -3.2772415 -3.2565351 -3.2565345 :EIG00021: -1.5162613 -1.5161750 -1.5102548 -1.5102260 -1.5084994 :EIG00026: -1.5083105 -1.5054804 -1.5053489 -1.5037572 -1.5036919 :EIG00031: -1.5024326 -1.5022951 -1.5020061 -1.5019878 -1.5012378 :EIG00036: -1.5012279 -1.4993330 -1.4992512 -1.4968314 -1.4967110 :EIG00041: -0.2548826 -0.2309948 -0.1011545 -0.0901069 0.1952165 :EIG00046: 0.2079628 0.4003074 0.4403248 0.4970426 0.4976788 :EIG00051: 0.4990493 0.5038477 0.5080260 0.5104777 0.5176130 :EIG00056: 0.5229203 0.5538252 0.5568973 0.7550823 0.7730888 :EIG00061: 0.8474816 0.8531872 0.8804010 0.8863179 0.9813011 :EIG00066: 0.9846652 0.9945604 1.0197422 1.1412238 1.1519454 :EIG00071: 1.1822077 1.1886706 1.3196380 1.3366709 1.4145200 :EIG00076: 1.4246538 1.4625768 1.4776339 1.4956195 1.5563869 :EIG00081: 1.6331078 1.6355455 1.6702351 1.6917638 1.7278440 :EIG00086: 1.7870203 1.8208947 1.8461892 1.8599824 1.8654046 :EIG00091: 1.9061565 1.9217066 1.9285962 1.9308382 1.9527886 :EIG00096: 1.9803631 1.9889790 1.9910886 ******************************************************** :KPT : NUMBER OF K-POINTS: 115