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)= -2.4835 E(BOTTOM)= -2.997 E(TOP)= -1.970 LOCAL ORBITAL :E1_0001: E( 1)= -0.4760 E(BOTTOM)= -1.482 E(TOP)= 0.530 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.4150 E(BOTTOM)= 0.415 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.4100 E(BOTTOM)= 0.410 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)= -0.6240 E(BOTTOM)= -1.128 E(TOP)= -0.120 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 199LOs: 30 RKM= 6.60 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.4367591 -0.6316380 -0.5899208 -0.5899208 -0.5899208 :EIG00006: -0.5331387 0.3048910 0.3048910 0.3048910 0.5345939 :EIG00011: 0.5345939 0.5345939 0.8534163 0.8534163 0.8534163 :EIG00016: 0.8903572 0.9216601 0.9216601 0.9216601 1.0124693 :EIG00021: 1.0298728 1.0298728 1.5574518 1.5574518 1.5574518 :EIG00026: 1.7711309 1.7711309 1.7711309 2.1596758 2.4938475 :EIG00031: 2.4938475 2.5488219 2.5488219 2.5488219 3.0161390 :EIG00036: 3.0161390 3.0161390 3.1448162 3.1448162 3.1448162 :EIG00041: 3.2418992 3.5466771 3.5466771 3.6860218 3.6860218 :EIG00046: 3.6860218 3.6873819 3.6873819 3.6873819 3.7043588 :EIG00051: 3.7043588 3.8231360 4.0080141 4.0182721 4.0182721 :EIG00056: 4.0182721 4.0872748 4.0872748 4.0872748 4.2705884 :EIG00061: 4.2705884 4.2705884 4.4122488 4.4122488 4.4122488 :EIG00066: 4.7111068 ******************************************************** :KPT : NUMBER OF K-POINTS: 47