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)= -2.9670 E(BOTTOM)= -3.374 E(TOP)= -2.560 LOCAL ORBITAL :E1_0001: E( 1)= -0.7030 E(BOTTOM)= -1.610 E(TOP)= 0.204 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.5525 E(BOTTOM)= 0.255 E(TOP)= 0.850 APW+lo :E2_0001: E( 2)= 0.3700 E(BOTTOM)= 0.370 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)= -0.5780 E(BOTTOM)= -1.124 E(TOP)= -0.032 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 369LOs: 30 RKM= 8.79 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.9132091 -0.7586430 -0.7586430 -0.7586430 -0.6146961 :EIG00006: -0.4845559 0.3296059 0.3296059 0.3296059 0.4875134 :EIG00011: 0.4875134 0.4875134 0.5969030 0.5969030 0.5969030 :EIG00016: 0.6310799 0.7564901 0.7564901 0.7564901 1.0437810 :EIG00021: 1.0474829 1.0474829 1.5829881 1.5829881 1.5829881 :EIG00026: 1.7802844 1.7802844 1.7802844 2.1754974 2.5509497 :EIG00031: 2.5509497 2.6395863 2.6395863 2.6395863 3.0197960 :EIG00036: 3.0197960 3.0197960 3.1630749 3.1630749 3.1630749 :EIG00041: 3.3352073 3.6323799 3.6323799 3.7721193 3.7721193 :EIG00046: 3.7721193 3.8399175 3.8399175 3.8555409 3.8555409 :EIG00051: 3.8555409 3.8570309 4.1531119 4.1531119 4.1531119 :EIG00056: 4.1864557 4.2535222 4.2535222 4.2535222 4.3645658 :EIG00061: 4.3645658 4.3645658 4.4468377 4.4468377 4.4468377 :EIG00066: 4.7847617 ******************************************************** :KPT : NUMBER OF K-POINTS: 72