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= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 361LOs: 30 RKM= 8.42 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3958260 -0.6080903 -0.5551412 -0.5551412 -0.5551412 :EIG00006: -0.5095007 0.3280077 0.3280077 0.3280077 0.5602675 :EIG00011: 0.5602675 0.5602675 0.8889222 0.8889222 0.8889222 :EIG00016: 0.9287002 0.9600786 0.9600786 0.9600786 1.0304594 :EIG00021: 1.0561347 1.0561347 1.5870090 1.5870090 1.5870090 :EIG00026: 1.7908032 1.7908032 1.7908032 2.1794301 2.5131862 :EIG00031: 2.5131862 2.5673348 2.5673348 2.5673348 3.0441592 :EIG00036: 3.0441592 3.0441592 3.1668182 3.1668182 3.1668182 :EIG00041: 3.2663270 3.5600161 3.5600161 3.6893977 3.6893977 :EIG00046: 3.6893977 3.7020526 3.7020526 3.7020526 3.7092311 :EIG00051: 3.7092311 3.8450997 4.0126653 4.0273087 4.0273087 :EIG00056: 4.0273087 4.0927811 4.0927811 4.0927811 4.2866466 :EIG00061: 4.2866466 4.2866466 4.4348030 4.4348030 4.4348030 :EIG00066: 4.7331056 ******************************************************** :KPT : NUMBER OF K-POINTS: 72