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= 0.33333 0.00000 0.00000 19 :RKM : MATRIX SIZE 337LOs: 30 RKM= 8.43 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3937994 -0.7025018 -0.5659926 -0.5659926 -0.5238720 :EIG00006: -0.4427667 0.3599829 0.3599829 0.3800208 0.4784835 :EIG00011: 0.5780048 0.5780048 0.8706013 0.8901308 0.8901308 :EIG00016: 0.9226139 0.9335587 0.9433922 0.9433922 1.0861466 :EIG00021: 1.0997517 1.1269403 1.5170510 1.5387685 1.5387685 :EIG00026: 1.7453899 1.8218281 1.8218281 2.3452612 2.3623288 :EIG00031: 2.5345736 2.5369663 2.5369663 2.5442950 2.8391215 :EIG00036: 2.9337724 2.9337724 3.2573628 3.2573628 3.3241596 :EIG00041: 3.3363771 3.4316020 3.4702483 3.4757745 3.4757745 :EIG00046: 3.4948434 3.5661621 3.7202006 3.8003940 3.8057517 :EIG00051: 3.8057517 3.9047475 3.9047475 3.9874234 4.0641014 :EIG00056: 4.2903407 4.2903407 4.3149646 4.3551803 4.4073050 :EIG00061: 4.5204068 4.5204068 4.6197948 4.6976075 4.6976075 :EIG00066: 4.8101715 4.8156077 ******************************************************** :KPT : NUMBER OF K-POINTS: 1