Fe V, d4+d3s+d2s2, Ekberg Phys.Scr. 12(1975)42 Wed Sep 23 13:28:36 1998 J= .0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. - 501011.348 - 100% 3|1S0)1S + 0% 3|3P2)3P + 0% 1|1S0) + 0% 1|1S4) - 454843.942 - 100% 3|3P2)3P + 0% 3|1S0)1S + 0% 1|3P2) + 0% 2|2P3)3P - 214896.525 - 83% 2|2P3)3P + 17% 2|4P3)3P + 0% 3|3P2)3P + 0% 1|3P2) 212542.100 212541.867 .233 83% 2|4P3)3P + 17% 2|2P3)3P + 0% 1|3P4) + 0% 3|3P2)3P 121130.200 121129.757 .443 79% 1|1S0) + 21% 1|1S4) + 0% 3|1S0)1S + 0% 1|3P2) 63420.000 63421.063 -1.063 60% 1|3P2) + 40% 1|3P4) + 0% 1|1S4) + 0% 1|5D4) 39633.400 39632.280 1.120 78% 1|1S4) + 21% 1|1S0) + 1% 1|3P4) + 0% 1|3P2) 24055.400 24058.633 -3.233 59% 1|3P4) + 40% 1|3P2) + 1% 1|1S4) + 0% 1|5D4) .000 -3.738 3.738 100% 1|5D4) + 0% 1|3P2) + 0% 1|3P4) + 0% 1|1S4) J= 1.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. - 455626.967 - 1.501 100% 3|3P2)3P + 0% 1|3P2) + 0% 2|2P3)3P + 0% 1|3P4) 258769.500 258769.565 -.065 .499 78% 2|2D1)3D + 22% 2|2D3)3D + 0% 2|4P3)3P + 0% 2|4F3)5F 219486.900 219488.875 -1.975 .985 90% 2|2P3)1P + 5% 2|2D3)3D + 2% 2|4P3)3P + 1% 2|2D1)3D 215782.600 215785.941 -3.341 .748 56% 2|2D3)3D + 21% 2|2P3)3P + 16% 2|2D1)3D + 7% 2|2P3)1P 214611.400 214607.850 3.550 1.319 69% 2|2P3)3P + 15% 2|2D3)3D + 11% 2|4P3)3P + 4% 2|2D1)3D 212818.100 212818.539 -.439 1.455 86% 2|4P3)3P + 8% 2|2P3)3P + 3% 2|2P3)1P + 2% 2|2D3)3D 204729.900 204731.321 -1.421 2.496 99% 2|4P3)5P + 1% 2|2P3)3P + 0% 2|2D3)3D + 0% 2|4P3)3P 186433.600 186434.389 -.789 -.001 100% 2|4F3)5F + 0% 2|2D3)3D + 0% 2|2D1)3D + 0% 2|2P3)1P 62914.200 62912.992 1.208 1.501 60% 1|3P2) + 40% 1|3P4) + 0% 1|3D4) + 0% 3|3P2)3P 36925.400 36922.362 3.038 .501 100% 1|3D4) + 0% 1|3P2) + 0% 1|3P4) + 0% 1|5D4) 24972.900 24973.470 -.570 1.500 60% 1|3P4) + 40% 1|3P2) + 0% 1|5D4) + 0% 1|3D4) 142.100 140.137 1.963 1.501 100% 1|5D4) + 0% 1|3P2) + 0% 1|3P4) + 0% 1|3D4) J= 2.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. - 457589.187 - 1.406 81% 3|3P2)3P + 19% 3|1D2)1D + 0% 3|3F2)3F + 0% 1|3P2) - 453173.846 - 1.092 80% 3|1D2)1D + 19% 3|3P2)3P + 1% 3|3F2)3F + 0% 1|1D2) - 435451.177 - .669 99% 3|3F2)3F + 1% 3|1D2)1D + 0% 1|3F2) + 0% 3|3P2)3P 262509.300 262509.033 .267 1.000 79% 2|2D1)1D + 20% 2|2D3)1D + 0% 2|2D1)3D + 0% 2|2D3)3D 258628.500 258628.245 .255 1.167 79% 2|2D1)3D + 21% 2|2D3)3D + 0% 2|2D1)1D + 0% 2|2F3)3F 234027.400 234028.895 -1.495 .666 100% 2|2F3)3F + 0% 2|2D3)1D + 0% 2|2D3)3D + 0% 2|2D1)3D 220621.000 220620.628 .372 1.009 78% 2|2D3)1D + 20% 2|2D1)1D + 2% 2|2P3)3P + 0% 2|2D3)3D 216652.000 216649.842 2.158 1.265 56% 2|2D3)3D + 28% 2|2P3)3P + 15% 2|2D1)3D + 1% 2|4P3)3P 214525.800 214526.110 -.310 1.400 67% 2|2P3)3P + 23% 2|2D3)3D + 6% 2|2D1)3D + 1% 2|2D3)1D 213649.200 213648.389 .811 1.499 97% 2|4P3)3P + 2% 2|2P3)3P + 0% 2|2D3)1D + 0% 2|2D1)1D 204975.400 204975.523 -.123 1.830 99% 2|4P3)5P + 1% 2|2P3)3P + 0% 2|2D3)3D + 0% 2|4P3)3P 195196.300 195196.233 .067 .667 100% 2|4F3)3F + 0% 2|2D3)1D + 0% 2|4F3)5F + 0% 2|2D1)1D 186725.500 186726.026 -.526 1.000 100% 2|4F3)5F + 0% 2|4F3)3F + 0% 2|2D3)3D + 0% 2|2D1)3D 93832.300 93832.138 .162 1.000 78% 1|1D2) + 22% 1|1D4) + 0% 3|1D2)1D + 0% 1|3D4) 62321.100 62322.214 -1.114 .667 78% 1|3F2) + 22% 1|3F4) + 0% 1|1D4) + 0% 1|3D4) 61854.400 61854.909 -.509 1.500 61% 1|3P2) + 39% 1|3P4) + 0% 1|1D4) + 0% 1|1D2) 46291.200 46291.596 -.396 1.001 78% 1|1D4) + 21% 1|1D2) + 1% 1|3D4) + 0% 1|3F2) 36758.500 36759.158 -.658 1.167 99% 1|3D4) + 0% 1|1D4) + 0% 1|3P2) + 0% 1|1D2) 26760.700 26761.693 -.993 .667 78% 1|3F4) + 22% 1|3F2) + 0% 1|1D4) + 0% 1|3P4) 26468.300 26467.361 .939 1.499 60% 1|3P4) + 39% 1|3P2) + 0% 1|3D4) + 0% 1|5D4) 417.300 415.314 1.986 1.501 100% 1|5D4) + 0% 1|3P2) + 0% 1|3P4) + 0% 1|3D4) J= 3.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. - 437426.381 - 1.084 100% 3|3F2)3F + 0% 1|3F2) + 0% 2|2F3)3F + 0% 1|3F4) 258434.100 258434.157 -.057 1.334 80% 2|2D1)3D + 20% 2|2D3)3D + 0% 2|2F3)1F + 0% 2|2F3)3F 237729.600 237729.262 .338 1.000 100% 2|2F3)1F + 0% 2|2F3)3F + 0% 2|2D1)3D + 0% 2|2D3)3D 233848.900 233849.295 -.395 1.083 100% 2|2F3)3F + 0% 2|2F3)1F + 0% 2|2D3)3D + 0% 2|2D1)3D 216538.100 216539.720 -1.620 1.334 80% 2|2D3)3D + 20% 2|2D1)3D + 0% 2|4P3)5P + 0% 2|4F3)3F 208838.200 208837.388 .812 .750 100% 2|2G3)3G + 0% 2|4F3)3F + 0% 2|2F3)1F + 0% 2|2F3)3F 205536.400 205535.602 .798 1.668 100% 2|4P3)5P + 0% 2|2D1)3D + 0% 2|2D3)3D + 0% 2|4F3)3F 195933.000 195932.611 .389 1.084 100% 2|4F3)3F + 0% 2|4F3)5F + 0% 2|2G3)3G + 0% 2|2D3)3D 187157.500 187157.442 .058 1.250 100% 2|4F3)5F + 0% 2|4F3)3F + 0% 2|2D3)3D + 0% 2|2G3)3G 62364.400 62363.956 .444 1.083 78% 1|3F2) + 21% 1|3F4) + 1% 1|1F4) + 0% 1|3D4) 52732.700 52732.488 .212 1.001 99% 1|1F4) + 0% 1|3F2) + 0% 1|3F4) + 0% 1|3D4) 36630.100 36631.089 -.989 1.334 100% 1|3D4) + 0% 1|1F4) + 0% 1|3F4) + 0% 1|3F2) 29817.100 29818.159 -1.059 .764 96% 1|3G4) + 4% 1|3F4) + 1% 1|3F2) + 0% 1|1F4) 26842.300 26842.169 .131 1.069 75% 1|3F4) + 20% 1|3F2) + 4% 1|3G4) + 0% 1|5D4) 803.100 803.301 -.201 1.501 100% 1|5D4) + 0% 1|3F4) + 0% 1|3D4) + 0% 1|3F2) J= 4.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. - 464389.480 - 1.001 100% 3|1G2)1G + 0% 3|3F2)3F + 0% 1|1G2) + 0% 2|2G3)1G - 439729.315 - 1.250 100% 3|3F2)3F + 0% 3|1G2)1G + 0% 1|3F2) + 0% 2|2F3)3F 233633.600 233633.188 .412 1.250 100% 2|2F3)3F + 0% 2|2G3)1G + 0% 2|2G3)3G + 0% 2|4F3)5F 216779.100 216778.537 .563 .813 93% 2|2H3)3H + 6% 2|2G3)1G + 1% 2|2G3)3G + 0% 2|4F3)3F 213534.100 213533.659 .441 .989 93% 2|2G3)1G + 6% 2|2H3)3H + 0% 2|2G3)3G + 0% 2|4F3)3F 209110.100 209109.857 .243 1.049 99% 2|2G3)3G + 1% 2|2G3)1G + 1% 2|2H3)3H + 0% 2|4F3)3F 196838.600 196839.694 -1.094 1.250 100% 2|4F3)3F + 0% 2|2G3)1G + 0% 2|2G3)3G + 0% 2|4F3)5F 187719.000 187718.565 .435 1.350 100% 2|4F3)5F + 0% 2|4F3)3F + 0% 2|2G3)3G + 0% 2|2F3)3F 71280.300 71280.310 -.010 1.000 66% 1|1G2) + 34% 1|1G4) + 0% 1|3F2) + 0% 1|3F4) 62238.100 62238.055 .045 1.250 80% 1|3F2) + 20% 1|3F4) + 0% 1|1G2) + 0% 1|1G4) 36586.300 36586.710 -.410 1.002 65% 1|1G4) + 33% 1|1G2) + 1% 1|3F4) + 1% 1|3H4) 30147.000 30147.462 -.462 1.055 94% 1|3G4) + 3% 1|3F4) + 1% 1|3H4) + 1% 1|3F2) 26974.000 26972.719 1.281 1.236 75% 1|3F4) + 19% 1|3F2) + 4% 1|3G4) + 1% 1|3H4) 24932.500 24933.375 -.875 .807 97% 1|3H4) + 1% 1|3G4) + 0% 1|3F4) + 0% 1|1G4) 1282.800 1284.829 -2.029 1.501 100% 1|5D4) + 0% 1|3F4) + 0% 1|3F2) + 0% 1|3G4) J= 5.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. 221305.200 221305.028 .172 1.001 99% 2|2H3)1H + 0% 2|2H3)3H + 0% 2|2G3)3G + 0% 2|4F3)5F 216860.400 216860.984 -.584 1.035 99% 2|2H3)3H + 1% 2|2G3)3G + 0% 2|2H3)1H + 0% 2|4F3)5F 209523.900 209523.748 .152 1.199 98% 2|2G3)3G + 1% 2|2H3)3H + 0% 2|2H3)1H + 0% 2|4F3)5F 188395.300 188395.069 .231 1.401 100% 2|4F3)5F + 0% 2|2G3)3G + 0% 2|2H3)3H + 0% 2|2H3)1H 30430.100 30429.383 .717 1.198 98% 1|3G4) + 2% 1|3H4) + 0% 2|2G3)3G + 0% 2|2H3)3H 25225.900 25225.252 .648 1.036 98% 1|3H4) + 2% 1|3G4) + 0% 2|2H3)3H + 0% 2|2G3)3G J= 6.0 E(obs.) E(calc.) Delta Mixd.g-fac. Composition .................................................................................................................................. 217122.500 217122.894 -.394 1.167 100% 2|2H3)3H + 0% 1|3H4) + 0% 1|1I4) + 37511.700 37511.572 .128 1.001 100% 1|1I4) + 0% 1|3H4) + 0% 2|2H3)3H + 25528.500 25528.447 .053 1.167 100% 1|3H4) + 0% 1|1I4) + 0% 2|2H3)3H + Characteristics of iteration no 7 Residual= .617E+02 Change in residual= .237E-02 Sigma= .124E+01 Parameter changes Initial data New Used Changed Variable Par.num. Parameter Parameter Difference Par.name Error Par.num. Relation Parameters 1 36079.6632 36079.6633 .0000 Eavd4 .215 1 1.00000 1 2 9795.1839 9795.1839 .0000 O2d4 .166 2 1.00000 1 3 6871.5968 6871.5968 .0000 O2'd4 .195 3 1.00000 1 4 443.3991 443.3991 .0000 Ea'd4 .123 4 1.00000 1 5 -220.2375 -220.2375 .0000 Eb'd4 .209 5 1.00000 1 6 530.1641 530.1642 .0000 Zetad .515 6 1.00000 1 7 -7.3910 -7.3910 .0000 T1 .005 7 1.00000 1 8 1.0206 1.0206 .0000 T2 .005 8 1.00000 1 9 .0803 .0803 .0000 T3 .005 9 1.00000 1 10 -.0966 -.0966 .0000 T4 .000 10 1.00000 0 11 264.4000 264.4000 .0000 F1 .000 11 1.00000 0 12 10.7000 10.7000 .0000 F2 .000 12 1.00000 0 13 230.2000 230.2000 .0000 F3 .000 13 1.00000 0 14 -69.8000 -69.8000 .0000 F4 .000 14 1.00000 0 15 -16.3000 -16.3000 .0000 F5 .000 15 1.00000 0 16 13.4000 13.4000 .0000 F6 .000 16 1.00000 0 17 -81.5000 -81.5000 .0000 F7 .000 17 1.00000 0 18 163.6000 163.6000 .0000 F8 .000 18 1.00000 0 19 -11.9000 -11.9000 .0000 F9 .000 19 1.00000 0 20 -5.0000 -5.0000 .0000 F10 .000 20 1.00000 0 21 -9.8000 -9.8000 .0000 F11 .000 21 1.00000 0 22 -26.2856 -26.2856 .0000 F12 3.704 22 1.00000 1 23 2.6804 2.6804 .0000 Ac .273 23 1.00000 1 24 1.8371 1.8371 .0000 A3 .256 24 1.00000 1 25 4.8020 4.8020 .0000 A4 .390 25 1.00000 1 26 6.7217 6.7217 .0000 A5 .244 26 1.00000 1 27 -7.7641 -7.7641 .0000 A6 .144 27 1.00000 1 28 .7100 .7100 .0000 A1 .000 28 1.00000 0 29 -2.2500 -2.2500 .0000 A2 .000 29 1.00000 0 30 .0000 .0000 .0000 A0 .000 30 1.00000 0 31 214786.8422 214786.8421 .0000 Eavd3s .202 31 1.00000 1 32 10384.7678 10384.7678 .0000 O2d3 .203 32 1.00000 1 33 7103.7262 7103.7262 .0000 O2'd3 .239 33 1.00000 1 34 480.5642 480.5642 .0000 Ea'd3 .157 34 1.00000 1 35 -244.6255 -244.6255 .0000 Eb'd3 .238 35 1.00000 1 36 -8.1234 -8.1234 .0000 T1 .010 36 1.00000 1 37 1.0769 1.0769 .0000 T2 .009 37 1.00000 1 38 .0926 .0926 .0000 T3 .000 38 1.00000 0 39 -.0402 -.0402 .0000 T4 .000 39 1.00000 0 40 583.6929 583.6929 .0000 Zetad .410 40 1.00000 1 41 2.7947 2.7947 .0000 Ac .237 41 1.00000 1 42 2.1535 2.1535 .0000 A3 .341 42 1.00000 1 43 3.5027 3.5027 .0000 A4 .255 43 1.00000 1 44 7.1537 7.1537 .0000 A5 .193 44 1.00000 1 45 -9.1759 -9.1759 .0000 A6 .210 45 1.00000 1 46 .8000 .8000 .0000 A1 .000 46 1.00000 0 47 -2.5600 -2.5600 .0000 A2 .000 47 1.00000 0 48 .0000 .0000 .0000 A0 .000 48 1.00000 0 49 1829.7494 1829.7494 .0000 Cds .138 49 1.00000 1 50 -80.6623 -80.6623 .0000 Tdds .187 50 1.00000 1 51 19.7000 19.7000 .0000 SD1 .000 51 1.00000 0 52 4.5000 4.5000 .0000 SD2 .000 52 1.00000 0 53 -17.0000 -17.0000 .0000 SD3 .000 53 1.00000 0 54 19.3000 19.3000 .0000 SD4 .000 54 1.00000 0 55 12.9000 12.9000 .0000 SD5 .000 55 1.00000 0 56 -6.0000 -6.0000 .0000 SD6 .000 56 1.00000 0 57 -13.7000 -13.7000 .0000 SD7 .000 57 1.00000 0 58 -13.4000 -13.4000 .0000 SD8 .000 58 1.00000 0 59 15.3000 15.3000 .0000 SD9 .000 59 1.00000 0 60 2.9538 2.9538 .0000 Amso .244 60 1.00000 1 61 .3700 .3700 .0000 Ass .000 61 1.00000 0 62 450000.0000 450000.0000 .0000 Eavd2s2 .000 62 1.00000 0 63 1.0000 10974.3518 .0000 O2 .000 -1 1.00000 0 64 1.0000 7335.8556 .0000 O2' .000 -2 1.00000 0 65 1.0000 517.7293 .0000 Ea' .000 -3 1.00000 0 66 1.0000 -269.0135 .0000 Eb' .000 -4 1.00000 0 67 1.0000 1193.6713 .0000 Zetad .000 -5 1.00000 0 68 1.0000 2.9089 .0000 Ac .000 -6 1.00000 0 69 1.0000 2.4698 .0000 A3 .000 -7 1.00000 0 70 1.0000 2.2034 .0000 A4 .000 -8 1.00000 0 71 1.0000 7.5857 .0000 A5 .000 -9 1.00000 0 72 1.0000 -10.5877 .0000 A6 .000 -1 1.00000 0 73 1.0000 .8900 .0000 A1 .000 -1 1.00000 0 74 1.0000 -2.8700 .0000 A2 .000 -2 1.00000 0 75 .0000 .0000 .0000 A0 .000 75 1.00000 0 76 3030.0000 3030.0000 .0000 R2.d4d3s .000 76 1.00000 0 77 13052.2000 13052.2000 .0000 R2.d4d2s2 .000 77 1.00000 0 78 4920.0000 4920.0000 .0000 R2.d3sd2s2 .000 78 1.00000 0 Converged