ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM U :e__0001: OVERALL ENERGY PARAMETER IS 0.8359 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.8359 APW+lo :E0_0001: E( 0)= -2.1230 E(BOTTOM)= -2.504 E(TOP)= -1.742 LOCAL ORBITAL :E1_0001: E( 1)= -0.1890 E(BOTTOM)= -1.006 E(TOP)= 0.628 APW+lo :E1_0001: E( 1)= 0.8359 LOCAL ORBITAL :E3_0001: E( 3)= 0.8359 E(BOTTOM)= 0.831 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.8359 E(BOTTOM)= 0.741 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM C :e__0002: OVERALL ENERGY PARAMETER IS 0.8359 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.3820 E(BOTTOM)= -0.382 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.6000 LOCAL ORBITAL :E1_0002: E( 1)= 0.8359 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 284LOs: 25 RKM= 8.81 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.0890480 -0.2105818 -0.2105818 -0.2105818 0.2285113 :EIG00006: 0.9096614 0.9096614 0.9096614 1.0659741 1.1573655 :EIG00011: 1.1573655 1.1573655 1.2249507 1.2249507 1.2249507 :EIG00016: 1.3674789 1.3674789 1.4024228 1.4024228 1.4024228 :EIG00021: 1.4238115 1.9507987 3.0245527 3.0245527 3.0245527 :EIG00026: 3.0431727 3.0431727 3.0431727 3.2936629 3.2936629 :EIG00031: 3.5017136 3.6427806 3.6427806 3.6427806 3.9695639 :EIG00036: 3.9695639 3.9695639 4.0708704 4.0708704 4.4448317 :EIG00041: 4.4448317 4.4448317 4.5862693 4.5862693 4.5862693 :EIG00046: 4.7170338 4.7170338 4.7170338 4.8473014 5.0843432 :EIG00051: 5.0843432 5.1217900 5.1217900 5.1217900 5.2982961 :EIG00056: 5.2982961 5.2982961 5.3117534 5.3228842 ******************************************************** :KPT : NUMBER OF K-POINTS: 195