ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Am :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)= -2.6720 E(BOTTOM)= -2.925 E(TOP)= -2.419 LOCAL ORBITAL :E1_0001: E( 1)= -0.5320 E(BOTTOM)= -1.192 E(TOP)= 0.128 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6350 E(BOTTOM)= 0.635 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.5850 E(BOTTOM)= 0.585 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM N :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.1260 E(BOTTOM)= -0.700 E(TOP)= 0.448 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= 8.79 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.6373224 -0.5102997 -0.5102997 -0.5102997 -0.1826025 :EIG00006: 0.6705935 0.6705935 0.6705935 0.8235032 0.9143508 :EIG00011: 0.9143508 0.9143508 1.0065661 1.0232815 1.0232815 :EIG00016: 1.0232815 1.0294040 1.0294040 1.0294040 1.2256144 :EIG00021: 1.2256144 1.7110094 2.7769136 2.7769136 2.7769136 :EIG00026: 2.8096152 2.8096152 2.8096152 3.1454631 3.1454631 :EIG00031: 3.1518972 3.2289177 3.2289177 3.2289177 3.7896488 :EIG00036: 3.7896488 3.7896488 3.8787133 3.8787133 4.3124029 :EIG00041: 4.3869193 4.3869193 4.3869193 4.4052754 4.4052754 :EIG00046: 4.4052754 4.6443283 4.6443283 4.6443283 4.9484275 :EIG00051: 4.9484275 4.9661328 4.9661328 4.9661328 ******************************************************** :KPT : NUMBER OF K-POINTS: 47