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= 0.83333 0.33333 -0.16667 58 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.47 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3881745 -0.7734455 -0.7007670 -0.5886989 -0.4374115 :EIG00006: -0.3338132 0.3602649 0.4564456 0.4788620 0.5375309 :EIG00011: 0.5479126 0.5949142 0.8433336 0.8612481 0.8746566 :EIG00016: 0.8880751 0.9026066 0.9169638 0.9775828 1.0776744 :EIG00021: 1.1825110 1.2867738 1.3535351 1.4576858 1.5982358 :EIG00026: 1.7302421 1.9375666 1.9761230 2.1039969 2.1675386 :EIG00031: 2.2639610 2.3758301 2.5084249 2.5315664 2.6282832 :EIG00036: 2.8560730 2.9644250 3.0881754 3.1648377 3.2367651 :EIG00041: 3.2764789 3.3484356 3.4130672 3.4834745 3.5462288 :EIG00046: 3.6295169 3.6905858 3.7934548 3.8707762 3.9767492 :EIG00051: 4.0274924 4.0709953 4.1178552 4.1610216 4.3258912 :EIG00056: 4.3390218 4.4435168 4.4977761 4.5807797 4.6537984 :EIG00061: 4.7634378 4.7832690 4.8267773 4.9077200 4.9396709 ******************************************************** :KPT : NUMBER OF K-POINTS: 1