ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM U :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3000 APW+lo :E0_0001: E( 0)= -2.4430 E(BOTTOM)= -2.960 E(TOP)= -1.926 LOCAL ORBITAL :E1_0001: E( 1)= -0.4390 E(BOTTOM)= -1.450 E(TOP)= 0.572 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.4550 E(BOTTOM)= 0.455 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.4350 E(BOTTOM)= 0.435 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM O :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.6020 E(BOTTOM)= -1.108 E(TOP)= -0.096 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.91667 0.08333 -0.08333 41 :RKM : MATRIX SIZE 346LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3878041 -0.8024301 -0.6277418 -0.5945137 -0.5273881 :EIG00006: -0.2812358 0.3036877 0.5073011 0.5093728 0.5538499 :EIG00011: 0.5625104 0.5719452 0.8410080 0.8596080 0.8637409 :EIG00016: 0.8925698 0.9187704 0.9248431 0.9872845 1.0171913 :EIG00021: 1.2217850 1.2425502 1.4236525 1.4437518 1.6094168 :EIG00026: 1.7925745 1.8418751 1.9105168 1.9797963 2.0288791 :EIG00031: 2.4610773 2.5024831 2.5083213 2.6547992 2.6620834 :EIG00036: 2.9010601 2.9132644 3.0534422 3.1091034 3.2100519 :EIG00041: 3.2499796 3.2697275 3.3458598 3.3460727 3.4405269 :EIG00046: 3.5996414 3.8927590 3.8993455 3.9037694 3.9333141 :EIG00051: 4.0244510 4.1209681 4.1593078 4.2535555 4.2894225 :EIG00056: 4.4430071 4.4597915 4.5750738 4.6019136 4.6733522 :EIG00061: 4.6902529 4.8105521 4.8537206 4.8782433 4.9181824 ******************************************************** :KPT : NUMBER OF K-POINTS: 1