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= 1.00000 0.50000 -0.50000 34 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.47 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3897110 -0.7525856 -0.6935316 -0.5718208 -0.4207040 :EIG00006: -0.3887762 0.4142269 0.4207995 0.4418114 0.4980148 :EIG00011: 0.5117870 0.6171315 0.8480103 0.8768375 0.8874085 :EIG00016: 0.8886844 0.8993932 0.9179025 0.9599045 1.0844976 :EIG00021: 1.1572134 1.2969311 1.3776354 1.4941114 1.5281064 :EIG00026: 1.6913258 1.8394017 2.1610521 2.1613322 2.2489824 :EIG00031: 2.3294143 2.3613383 2.4554232 2.5981609 2.7888680 :EIG00036: 2.8370969 2.8376039 3.0950569 3.1169877 3.1638707 :EIG00041: 3.2627588 3.3803578 3.4559119 3.5463283 3.5694400 :EIG00046: 3.6735560 3.6900279 3.7220207 3.8594786 3.8724995 :EIG00051: 3.9040092 4.0321937 4.1353381 4.1897062 4.2541263 :EIG00056: 4.3996742 4.4035287 4.4743485 4.4773253 4.5612918 :EIG00061: 4.6391436 4.7561125 4.7717249 ******************************************************** :KPT : NUMBER OF K-POINTS: 1