ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Cm :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)= -3.0750 E(BOTTOM)= -3.458 E(TOP)= -2.692 LOCAL ORBITAL :E1_0001: E( 1)= -0.7400 E(BOTTOM)= -1.628 E(TOP)= 0.148 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.5400 E(BOTTOM)= 0.260 E(TOP)= 0.820 APW+lo :E2_0001: E( 2)= 0.3700 E(BOTTOM)= 0.370 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)= -0.6170 E(BOTTOM)= -1.160 E(TOP)= -0.074 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 369LOs: 30 RKM= 8.81 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.0218773 -0.7869420 -0.7869420 -0.7869420 -0.6521874 :EIG00006: -0.5192564 0.3102380 0.3102380 0.3102380 0.4736661 :EIG00011: 0.4736661 0.4736661 0.5848972 0.5848972 0.5848972 :EIG00016: 0.6172471 0.7301483 0.7301483 0.7301483 1.0313814 :EIG00021: 1.0497476 1.0497476 1.5765130 1.5765130 1.5765130 :EIG00026: 1.7698766 1.7698766 1.7698766 2.1627966 2.5500688 :EIG00031: 2.5500688 2.6410299 2.6410299 2.6410299 3.0058806 :EIG00036: 3.0058806 3.0058806 3.1669062 3.1669062 3.1669062 :EIG00041: 3.3329959 3.6471213 3.6471213 3.7674818 3.7674818 :EIG00046: 3.7674818 3.8350640 3.8383787 3.8383787 3.8919571 :EIG00051: 3.8919571 3.8919571 4.1614499 4.1614499 4.1614499 :EIG00056: 4.2256342 4.2772414 4.2772414 4.2772414 4.3821730 :EIG00061: 4.3821730 4.3821730 4.4570481 4.4570481 4.4570481 :EIG00066: 4.7847362 ******************************************************** :KPT : NUMBER OF K-POINTS: 72