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 0.50000 -0.33333 53 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3888209 -0.7649434 -0.6998854 -0.5796206 -0.4316284 :EIG00006: -0.3551395 0.4136330 0.4239743 0.4431622 0.5220061 :EIG00011: 0.5338487 0.6060524 0.8382181 0.8682437 0.8778476 :EIG00016: 0.8848737 0.9113314 0.9177580 0.9691952 1.0932060 :EIG00021: 1.1575711 1.2985740 1.3664781 1.4741561 1.5377161 :EIG00026: 1.6810938 1.9552327 2.1211125 2.1610512 2.2041514 :EIG00031: 2.2938658 2.3465532 2.3688193 2.5509822 2.7065417 :EIG00036: 2.8863892 2.9280450 3.0226858 3.0955218 3.1922647 :EIG00041: 3.2894322 3.3897291 3.4344256 3.5215234 3.6133484 :EIG00046: 3.6802855 3.7163949 3.7938675 3.8104142 3.8929912 :EIG00051: 3.9461618 4.0480560 4.1295066 4.1859879 4.3026073 :EIG00056: 4.3925564 4.4661918 4.5175669 4.5302076 4.5748274 :EIG00061: 4.7550062 4.7931006 4.8580620 4.8944969 4.9706057 ******************************************************** :KPT : NUMBER OF K-POINTS: 1