ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0001: E( 1)= 0.3000 APW+lo :E1_0001: E( 1)= -3.5500 E(BOTTOM)= -3.585 E(TOP)= -3.515 LOCAL ORBITAL :E2_0001: E( 2)= 0.2500 E(BOTTOM)= 0.010 E(TOP)= 0.490 APW+lo :E0_0001: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM As :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E2_0002: E( 2)= -2.1850 E(BOTTOM)= -2.240 E(TOP)= -2.130 APW+lo :E2_0002: E( 2)= 0.3000 LOCAL ORBITAL :E0_0002: E( 0)= -0.8200 E(BOTTOM)= -1.290 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Li :e__0003: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0003: E( 0)= 0.3000 APW+lo :E0_0003: E( 0)= -2.9725 E(BOTTOM)= -2.985 E(TOP)= -2.960 LOCAL ORBITAL K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 597LOs: 58 RKM= 7.96 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.5522890 -3.5522890 -3.5443087 -3.5443087 -3.5426782 :EIG00006: -3.5408685 -2.9731825 -2.9728148 -2.1773473 -2.1772947 :EIG00011: -2.1767558 -2.1766009 -2.1758887 -2.1758887 -2.1757569 :EIG00016: -2.1757569 -2.1747888 -2.1747513 -0.4962583 -0.3967201 :EIG00021: -0.0044210 0.0915915 0.1379100 0.1379100 0.1729816 :EIG00026: 0.2340583 0.2340583 0.2736492 0.2927244 0.3475119 :EIG00031: 0.3562951 0.3562951 0.3945649 0.4766775 0.5779214 :EIG00036: 0.5779214 0.6147222 0.7289446 0.7628432 0.8250473 :EIG00041: 0.8250473 0.8257858 0.9272182 1.0980850 1.1368464 :EIG00046: 1.1368464 1.1625426 1.2070746 1.2198569 1.2198569 :EIG00051: 1.3343398 1.3741167 1.5010512 1.5085709 1.5085709 :EIG00056: 1.6338668 1.6338668 1.6412044 1.7081267 1.7081267 :EIG00061: 1.7565491 1.7741778 1.8150059 1.9704095 ******************************************************** :KPT : NUMBER OF K-POINTS: 728