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= 0.66667 0.33333 -0.33333 23 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3891942 -0.7752415 -0.6665586 -0.5779900 -0.4699069 :EIG00006: -0.3387187 0.4050581 0.4196728 0.4401097 0.5190056 :EIG00011: 0.5545608 0.5862326 0.8379362 0.8632501 0.8762097 :EIG00016: 0.8881190 0.9196371 0.9304827 0.9656250 1.0988214 :EIG00021: 1.1461010 1.2900954 1.3754581 1.4759553 1.5056745 :EIG00026: 1.6575543 2.0505024 2.1098145 2.1810058 2.2158296 :EIG00031: 2.2210428 2.3333216 2.4855038 2.6018469 2.6303737 :EIG00036: 2.8834772 2.9667306 2.9909012 3.0775621 3.1971958 :EIG00041: 3.2765723 3.4192388 3.4528162 3.4849781 3.5779356 :EIG00046: 3.6072301 3.7092124 3.7292707 3.8136123 3.9485386 :EIG00051: 3.9856701 4.0830962 4.1302847 4.1582491 4.3060485 :EIG00056: 4.4159008 4.4676537 4.4803883 4.5577597 4.6534501 :EIG00061: 4.7657658 4.7925247 4.8811259 4.8985694 4.9504201 :EIG00066: 4.9997936 ******************************************************** :KPT : NUMBER OF K-POINTS: 1