ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Np :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)= -2.6095 E(BOTTOM)= -3.091 E(TOP)= -2.128 LOCAL ORBITAL :E1_0001: E( 1)= -0.5140 E(BOTTOM)= -1.494 E(TOP)= 0.466 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.3950 E(BOTTOM)= 0.395 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)= -0.5680 E(BOTTOM)= -1.080 E(TOP)= -0.056 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= 8.82 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.5581794 -0.6064771 -0.6064771 -0.6064771 -0.5834092 :EIG00006: -0.4752710 0.3600470 0.3600470 0.3600470 0.5718320 :EIG00011: 0.5718320 0.5718320 0.7936822 0.7936822 0.7936822 :EIG00016: 0.8324465 0.8877249 0.8877249 0.8877249 1.0799158 :EIG00021: 1.0870488 1.0870488 1.6154578 1.6154578 1.6154578 :EIG00026: 1.8298420 1.8298420 1.8298420 2.2281705 2.5652547 :EIG00031: 2.5652547 2.6366492 2.6366492 2.6366492 3.0811847 :EIG00036: 3.0811847 3.0811847 3.2172673 3.2172673 3.2172673 :EIG00041: 3.3370526 3.6301547 3.6301547 3.7683077 3.7683077 :EIG00046: 3.7683077 3.7906122 3.7906122 3.7906122 3.8004720 :EIG00051: 3.8004720 3.8951046 4.1196907 4.1266722 4.1266722 :EIG00056: 4.1266722 4.1971391 4.1971391 4.1971391 4.3693221 :EIG00061: 4.3693221 4.3693221 4.5043413 4.5043413 4.5043413 :EIG00066: 4.8085479 ******************************************************** :KPT : NUMBER OF K-POINTS: 47