ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM U :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)= -2.1230 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)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.8350 E(BOTTOM)= 0.835 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.7450 E(BOTTOM)= 0.745 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)= -0.3820 E(BOTTOM)= -0.382 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.6000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 284LOs: 25 RKM= 8.81 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.0890490 -0.2107104 -0.2107104 -0.2107104 0.2285098 :EIG00006: 0.9101879 0.9101879 0.9101879 1.0659751 1.1573930 :EIG00011: 1.1573930 1.1573930 1.2249571 1.2249571 1.2249571 :EIG00016: 1.3675638 1.3675638 1.4067832 1.4067832 1.4067832 :EIG00021: 1.4238400 1.9508587 3.0307264 3.0307264 3.0307264 :EIG00026: 3.0700973 3.0700973 3.0700973 3.2974155 3.2974155 :EIG00031: 3.5046138 3.7316766 3.7316766 3.7316766 3.9722832 :EIG00036: 3.9722832 3.9722832 4.1027310 4.1027310 4.4651968 :EIG00041: 4.4651968 4.4651968 4.6043749 4.6043749 4.6043749 :EIG00046: 4.7507242 4.7507242 4.7507242 4.8660131 5.0863048 :EIG00051: 5.0863048 5.1369831 5.1369831 5.1369831 5.3129496 :EIG00056: 5.3129496 5.3129496 5.3209593 5.3412398 ******************************************************** :KPT : NUMBER OF K-POINTS: 72