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)= -2.4430 E(BOTTOM)= -2.960 E(TOP)= -1.926 LOCAL ORBITAL :E1_0001: E( 1)= -0.4390 E(BOTTOM)= -1.450 E(TOP)= 0.572 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.4550 E(BOTTOM)= 0.455 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.4350 E(BOTTOM)= 0.435 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM O :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.6020 E(BOTTOM)= -1.108 E(TOP)= -0.096 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.58333 0.08333 -0.08333 29 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3906057 -0.7646120 -0.6050912 -0.5811519 -0.5193897 :EIG00006: -0.3522425 0.3821487 0.4174452 0.4198933 0.4694243 :EIG00011: 0.5913793 0.5931155 0.8523683 0.8796155 0.8840463 :EIG00016: 0.9047782 0.9167964 0.9259139 0.9491546 1.0681457 :EIG00021: 1.1601455 1.2808429 1.3910520 1.4831901 1.4907117 :EIG00026: 1.7622478 1.8719896 1.8979458 2.1694428 2.2326142 :EIG00031: 2.4360062 2.5160160 2.5633477 2.6580521 2.7768585 :EIG00036: 2.8086695 2.9441805 3.0597972 3.0895876 3.2711194 :EIG00041: 3.3229874 3.3309535 3.3996011 3.4433281 3.5238773 :EIG00046: 3.6076383 3.6482058 3.7822802 3.8272172 3.8724388 :EIG00051: 3.9358720 3.9730586 4.0088857 4.0221048 4.2114197 :EIG00056: 4.2677063 4.4456314 4.4759174 4.5514568 4.6432691 :EIG00061: 4.6781025 4.7028397 4.8361606 4.8686818 ******************************************************** :KPT : NUMBER OF K-POINTS: 1