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= 0.25000 0.08333 -0.08333 9 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3944061 -0.6846946 -0.5666206 -0.5617458 -0.5150048 :EIG00006: -0.4678842 0.3464000 0.3481875 0.3684221 0.5129224 :EIG00011: 0.5661759 0.5680386 0.8770546 0.8876428 0.8898115 :EIG00016: 0.9300697 0.9333532 0.9448064 0.9488465 1.0855191 :EIG00021: 1.0862655 1.1006251 1.5300332 1.5545954 1.5600233 :EIG00026: 1.7262085 1.8206377 1.8308995 2.3154041 2.3990461 :EIG00031: 2.4906977 2.5357681 2.5516315 2.6019588 2.8438381 :EIG00036: 2.9588488 2.9827253 3.2046986 3.2389653 3.3229611 :EIG00041: 3.3251536 3.4682319 3.4922522 3.5099262 3.5246757 :EIG00046: 3.5607923 3.6050035 3.6767748 3.7421893 3.7642723 :EIG00051: 3.8191753 3.8204909 3.9976019 3.9988086 4.0365561 :EIG00056: 4.1543432 4.2519920 4.2796666 4.3309316 4.3858826 :EIG00061: 4.5139670 4.5222755 4.5454153 4.5722513 4.6571366 :EIG00066: 4.7905565 4.8712612 ******************************************************** :KPT : NUMBER OF K-POINTS: 1