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)= -2.3845 E(BOTTOM)= -2.700 E(TOP)= -2.069 LOCAL ORBITAL :E1_0001: E( 1)= -0.3840 E(BOTTOM)= -1.118 E(TOP)= 0.350 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6950 E(BOTTOM)= 0.695 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.6350 E(BOTTOM)= 0.635 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM C :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.4340 E(BOTTOM)= -0.434 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.5000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 284LOs: 25 RKM= 8.82 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3482425 -0.3804887 -0.3804887 -0.3804887 0.1386857 :EIG00006: 0.8044341 0.8044341 0.8044341 0.9138689 1.0296311 :EIG00011: 1.0296311 1.0296311 1.0641604 1.0641604 1.0641604 :EIG00016: 1.2333460 1.2333460 1.2333460 1.2624700 1.2624700 :EIG00021: 1.3115438 1.8009192 2.8768661 2.8768661 2.8768661 :EIG00026: 2.9190760 2.9190760 2.9190760 3.1771815 3.1771815 :EIG00031: 3.3402657 3.5204511 3.5204511 3.5204511 3.8287676 :EIG00036: 3.8287676 3.8287676 3.9296632 3.9296632 4.3677565 :EIG00041: 4.3677565 4.3677565 4.4413160 4.4413160 4.4413160 :EIG00046: 4.6354839 4.6354839 4.6354839 4.6727166 4.9606698 :EIG00051: 4.9606698 4.9976992 4.9976992 4.9976992 ******************************************************** :KPT : NUMBER OF K-POINTS: 47