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)= -2.6750 E(BOTTOM)= -2.918 E(TOP)= -2.432 LOCAL ORBITAL :E1_0001: E( 1)= -0.5330 E(BOTTOM)= -1.176 E(TOP)= 0.110 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)= 0.6000 E(BOTTOM)= 0.600 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)= -0.5040 E(BOTTOM)= -0.504 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= 8.82 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.6411792 -0.5098828 -0.5098828 -0.5098828 0.0479228 :EIG00006: 0.7254272 0.7254272 0.7254272 0.8206932 0.9030451 :EIG00011: 0.9030451 0.9030451 1.0258692 1.0258692 1.0258692 :EIG00016: 1.0956244 1.0956244 1.0956244 1.2128675 1.2128675 :EIG00021: 1.2206629 1.7099659 2.7721629 2.7721629 2.7721629 :EIG00026: 2.8134245 2.8134245 2.8134245 3.1224604 3.1224604 :EIG00031: 3.2181849 3.3470143 3.3470143 3.3470143 3.7372206 :EIG00036: 3.7372206 3.7372206 3.8064034 3.8064034 4.3465497 :EIG00041: 4.3465497 4.3465497 4.3706302 4.3706302 4.3706302 :EIG00046: 4.5184609 4.6130216 4.6130216 4.6130216 4.9184146 :EIG00051: 4.9184146 4.9289549 4.9289549 4.9289549 ******************************************************** :KPT : NUMBER OF K-POINTS: 47