ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Pu1 :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E2_0001: E( 2)= 0.3000 APW+lo :E2_0001: E( 2)= -7.0165 E(BOTTOM)= -7.021 E(TOP)= -7.012 LOCAL ORBITAL :E0_0001: E( 0)= 0.3000 APW+lo :E0_0001: E( 0)= -2.8015 E(BOTTOM)= -3.078 E(TOP)= -2.525 LOCAL ORBITAL :E1_0001: E( 1)= -0.7440 E(BOTTOM)= -1.430 E(TOP)= -0.058 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6475 E(BOTTOM)= 0.395 E(TOP)= 0.900 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Co1 :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3000 APW+lo :E0_0002: E( 0)= -6.3335 E(BOTTOM)= -6.339 E(TOP)= -6.328 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo :E1_0002: E( 1)= -3.6390 E(BOTTOM)= -3.658 E(TOP)= -3.620 LOCAL ORBITAL :E2_0002: E( 2)= 0.5075 E(BOTTOM)= 0.305 E(TOP)= 0.710 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ga1 :e__0003: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0003: E( 1)= 0.3000 APW+lo :E1_0003: E( 1)= -6.2895 E(BOTTOM)= -6.301 E(TOP)= -6.278 LOCAL ORBITAL :E2_0003: E( 2)= -0.4620 E(BOTTOM)= -0.592 E(TOP)= -0.332 APW+lo :E2_0003: E( 2)= 0.3000 LOCAL ORBITAL :E0_0003: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Ga2 :e__0004: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0004: E( 1)= 0.3000 APW+lo :E1_0004: E( 1)= -6.3050 E(BOTTOM)= -6.317 E(TOP)= -6.293 LOCAL ORBITAL :E2_0004: E( 2)= -0.4780 E(BOTTOM)= -0.608 E(TOP)= -0.348 APW+lo :E2_0004: E( 2)= 0.3000 LOCAL ORBITAL :E0_0004: E( 0)= 0.3000 APW+lo K= 0.03571 0.03571 0.05556 1 :RKM : MATRIX SIZE 1278LOs: 123 RKM= 9.49 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -7.0192341 -7.0188770 -7.0188769 -7.0133481 -7.0114115 :EIG00006: -6.3327228 -6.3081594 -6.3081577 -6.3081090 -6.3081074 :EIG00011: -6.3022502 -6.3022299 -6.3016255 -6.3016088 -6.2993677 :EIG00016: -6.2993660 -6.2992618 -6.2992601 -6.2906881 -6.2864548 :EIG00021: -6.2864547 -3.6383709 -3.6383709 -3.6303050 -2.7580239 :EIG00026: -0.7893720 -0.7710289 -0.7708836 -0.4701200 -0.4650020 :EIG00031: -0.4634127 -0.4615999 -0.4612910 -0.4596643 -0.4595193 :EIG00036: -0.4571145 -0.4529313 -0.4529142 -0.4515973 -0.4514593 :EIG00041: -0.4459314 -0.4458260 -0.4451408 -0.4426787 -0.4426474 :EIG00046: -0.4385287 -0.4376437 -0.4363092 -0.4354214 -0.4334514 :EIG00051: -0.4314783 -0.4307451 -0.4306616 -0.1500884 0.0962847 :EIG00056: 0.1475028 0.2604009 0.4314815 0.4395042 0.4605417 :EIG00061: 0.4764878 0.4896667 0.4975606 0.5263885 0.5280299 :EIG00066: 0.6127977 0.6183856 0.6186430 0.6600626 0.6745702 :EIG00071: 0.6748931 0.6900836 0.6913879 0.7297956 0.7309404 :EIG00076: 0.7518771 0.8194047 0.8279300 0.8878395 0.9041628 :EIG00081: 0.9087754 1.0077378 1.0283645 1.0550959 1.0954356 :EIG00086: 1.1161605 1.1181566 1.2231511 1.2976976 1.3350212 :EIG00091: 1.3386357 1.3684644 1.3958849 1.4337676 1.4369933 :EIG00096: 1.4486944 1.4701032 1.4950217 1.7409902 1.7699902 :EIG00101: 1.7738077 1.8365264 1.8503514 1.8942407 1.9637910 :EIG00106: 2.0004443 2.0160816 2.1075283 2.1582073 2.1840588 :EIG00111: 2.2205344 2.2883022 2.3231359 2.3444733 2.3540270 :EIG00116: 2.4311735 2.4602632 2.4611386 2.4826586 2.5088022 :EIG00121: 2.5181917 2.5484333 2.5576648 2.5750103 2.5987339 :EIG00126: 2.6047362 2.6846122 2.7196220 2.7231033 2.7671105 :EIG00131: 2.7709573 2.8365148 2.8767414 2.8985434 2.9099514 :EIG00136: 2.9233465 2.9329033 2.9563510 3.0001168 3.0083150 :EIG00141: 3.0189805 3.0229338 3.0445943 3.0623210 3.0641019 :EIG00146: 3.0912636 3.1100222 3.1143689 3.1531572 3.1581770 :EIG00151: 3.1653530 3.1754325 3.1986514 3.2019653 3.2280516 :EIG00156: 3.2547044 3.2754036 3.2899834 3.3358053 3.3570661 :EIG00161: 3.3797002 3.4213954 3.4384469 3.4558664 3.4618734 ******************************************************** :KPT : NUMBER OF K-POINTS: 140