0600.README 13 December 2004 0600 C I John Hillier has found another error: GF0600PP.GAM and GF0600PX.GAM have the J listed incorrectly for the even levels. This does not affect any of the calculation, only the labelling of the output. However those files are read in creating the following files so they have all been replaced. GF0600.POS;8 57899/58025 13-DEC-2004 19:19:59.15 GF0600.WNPOS;8 57899/58025 13-DEC-2004 19:21:34.75 GF0600ALL.POS;2 65248/65450 13-DEC-2004 19:22:49.97 GF0600ALL.WNPOS;2 65248/65450 13-DEC-2004 19:24:08.86 GF0600PP.GAM;32 394/550 13-DEC-2004 17:47:53.54 GF0600PP.GAMMA;12 491/550 13-DEC-2004 17:57:30.27 GF0600PP.LOW;10 8676/8800 13-DEC-2004 17:57:46.16 GF0600PP.POS;13 8676/8800 13-DEC-2004 17:57:46.03 GF0600PP.WNLOW;20 8676/8800 13-DEC-2004 17:58:42.27 GF0600PP.WNPOS;20 8676/8800 13-DEC-2004 17:58:31.11 GF0600PR.GAM;2 347/550 13-DEC-2004 17:55:28.57 GF0600PX.GAM;13 689/825 13-DEC-2004 17:55:21.17 GF0600PX.GAMMA;12 857/1100 13-DEC-2004 17:57:30.36 GF0600PX.LOW;8 373/550 13-DEC-2004 17:58:49.05 GF0600PX.POS;8 373/550 13-DEC-2004 17:58:48.93 GF0600PX.WNLOW;16 373/550 13-DEC-2004 17:58:52.61 GF0600PX.WNPOS;16 373/550 13-DEC-2004 17:58:51.62 GF0600RP.GAMMA;12 501/550 13-DEC-2004 17:57:30.19 GF0600RR.GAMMA;12 438/550 13-DEC-2004 17:57:30.02 GF0600RX.GAMMA;12 866/1100 13-DEC-2004 17:57:30.10 GF0600XP.GAMMA;12 1050/1100 13-DEC-2004 17:57:29.93 GF0600XR.GAMMA;12 992/1100 13-DEC-2004 17:57:29.84 GF0600XX.GAMMA;3 1416/1650 13-DEC-2004 17:57:29.75 GF0600ALL.LINES;4 156038/156090 13-DEC-2004 19:33:17.10 GF0600ALL.PRED;4 90790/90816 13-DEC-2004 19:29:02.92 GF0600ALL.WNLINES;4 156038/156090 13-DEC-2004 19:36:59.20 GF0600ALL.WNPRED;8 90790/90816 13-DEC-2004 19:30:02.74 GF0600PP.LIN;62 2250/2322 13-DEC-2004 17:47:56.66 GF0600PP.LINES;10 8676/8772 13-DEC-2004 17:57:46.12 GF0600PP.WNLINES;20 8676/8772 13-DEC-2004 17:58:37.07 GF0600PR.LIN;2 0/0 13-DEC-2004 17:55:30.72 GF0600PX.LIN;26 97/129 13-DEC-2004 17:55:25.14 GF0600PX.LINES;8 373/387 13-DEC-2004 17:58:49.01 GF0600PX.WNLINES;16 373/387 13-DEC-2004 17:58:52.18 22 November 2004 0600 C I Some of the high l polarization levels had jumbled or switched labels. I corrected the labels by hand and then reran the files where the labels appeared. In doing so I found that some of the file names were rather confusing so I changed them as well and then had to change the .com files. Only a fraction of the lines labelled K04P were affected. Other lines from the 9 October 2004 version are unchanged. The directory at the end of this .readme lists the files with a few words of explanation. Errors in the calculations are inevitable. 9 October 2004 0600 C I Carbon I has now been completely redone and expanded and put in directory /atoms/0600. The computation was divided into four sections: suffix X, roughly all levels up through n = 9-12 with all configuration interactions; suffix R for Ritz, all higher levels up though n = 20 for low l with no configuration interaction; suffix P for polarization, all higher levels up though n = 20 for high l with no configuration interaction; and, by extrapolation, levels up through n = 99 that connect to s2p2, sp3, 2p3s, 2p3p, 2p3d levels and merge into a continuum. All higher levels up to n = 20 were filled in by Ritz expansion or the polarization formula for average energies. The polarization average energies are also given for all configurations with l<21 for all n<100. These are the configurations in each section. X 1 2p2 2 2p3p 3 2p4p 4 2p5p 5 2p6p 6 2p7p 7 2p8p 8 2p9p 9 2p10p A 2p11p B 2p4 C 2p3 3p D 2p3 4p E 2p3 5p F 2p3 6p G 2p3 7p H 2p3 8p I 2p3 9p J 2p3 10p K 2p3 11p L 2p4f M 2p5f N 2p6f O 2p7f P 2p8f Q 2p9f R 2p10f S 2p11f T 2p3 4f U 2p3 5f V 2p3 6f W 2p3 7f X 2p3 8f Y 2p3 9f Z 2p3 10f a 2p3 11f b 2p6h c 2p7h d 2p8h e 2p9h f 2p10h g 2p8k h 2p9k i sp2 3s j sp2 4s k sp2 5s l sp2 6s m sp2 7s n sp2 8s o sp2 9s p sp2 10s q sp2 11s r sp2 3d s sp2 4d t sp2 5d u sp2 6d v sp2 7d w sp2 8d x sp2 9d y sp2 10d z sp2 11d 1 2p3s 2 2p4s 3 2p5s 4 2p6s 5 2p7s 6 2p8s 7 2p9s 8 2p10s 9 2p11s A 2p12s B 2p3 3s C 2p3 4s D 2p3 5s E 2p3 6s F 2p3 7s G 2p3 8s H 2p3 9s I 2p3 10s J 2p3 11s K 2p3 12s L 2p3d M 2p4d N 2p5d O 2p6d P 2p7d Q 2p8d R 2p9d S 2p10d T 2p11d U 2p12d V 2p3 3d W 2p3 4d X 2p3 5d Y 2p3 6d Z 2p3 7d a 2p3 8d b 2p3 9d c 2p3 10d d 2p3 11d e 2p3 12d f 2p5g g 2p6g h 2p7g i 2p8g j 2p9g k 2p10g l 2p7i m 2p8i n 2p9i o 2p9l p sp3 q sp2 3p r sp2 4p s sp2 5p t sp2 6p u sp2 7p v sp2 8p w sp2 9p x sp2 10p y sp2 11p z sp2 12p R 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k e f g h i j k l m n o p q r s t u v w x y z 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i c d e f g h i j k l m n o p q r s t u v w x y z P 1 2p10m 2 2p11m 3 2p12m 4 2p13m 5 2p14m 6 2p15m 7 2p16m 8 2p17m 9 2p18m A 2p19m B 2p20m C 2p12o D 2p13o E 2p14o F 2p15o G 2p16o H 2p17o I 2p18o J 2p19o K 2p20o L 2p14r M 2p15r N 2p16r O 2p17r P 2p18r Q 2p19r R 2p20r S 2p16u T 2p17u U 2p18u V 2p19u W 2p20u X 2p18w Y 2p19w Z 2p20w a 2p20y b c d e f g h i j k l m n o p q r s t u v w x y z 1 2p10l 2 2p11l 3 2p12l 4 2p13l 5 2p14l 6 2p15l 7 2p16l 8 2p17l 9 2p18l A 2p19l B 2p20l C 2p11n D 2p12n E 2p13n F 2p14n G 2p15n H 2p16n I 2p17n J 2p18n K 2p19n L 2p20n M 2p13q N 2p14q O 2p15q P 2p16q Q 2p17q R 2p18q S 2p19q T 2p20q U 2p15t V 2p16t W 2p17t X 2p18t Y 2p19t Z 2p20t a 2p17v b 2p18v c 2p19v d 2p20v e 2p19x f 2p20x g h i j k l m n o p q r s t u v w x y z Not counting the extrapolation, up through n=20 there are 2382 even levels and 1962 odd levels, 182977 electric dipole lines between observed, Ritz, or polarization levels, and 286941 lines connecting levels predicted in the least squares fit. There are 36182 lines in series extrapolated from n=20 to n=99. There are 506100 electric dipole lines total. Forbidden lines were computed only for section X. There are 63223 magnetic dipole lines of which 16976 have good wavelengths. The are 398608 electric quadrupole lines of which 38124 have good wavelengths. Only 10 of the lines arise from metastable levels. If you do not wish to read about the calculation, the final results for the electric dipole lines and the 10 metastable forbidden lines are given in the files WL(NM) WAVENO(CM-1) NO LINES GF0600.POS GF0600.WNPOS 182987 for "realistic" spectra GF0600EXTR.POS GF0600EXTR.WNPOS 36182 for line merging GF0600ALL.POS GF0600ALL.WNPOS 219169 for "realistic" spectra GF0600ALL.PRED GF0600ALL.WNPRED 286941 for opacities GF0600ALL.LINES GF0600ALL.WNLINES 506110 for opacities GF0600ALL.LINES includes all the other files. Predicted energy levels are listed as negative. In some files predicted lines are listed as negative. In those cases take the absolute value of wavelengths and energies. All wavelengths below 200 nm are vacuum and above are air. In the far infrared the wavelengths are essentially nonsense so use the wavenumbers. Transition integrals near nodes were found to be unreliable. The program that computes the transition array was modified to first read in all the Hartree-Fock transition integrals and then to read in scaled-Thomas-Fermi-Dirac integrals where they were thought to be more reliable. The current transition arrays were all Hartree-Fock. The program for computing the scaled-Thomas-Fermi-Dirac transition integrals has been rewritten to be at least an order of magnitude more accurate. Once the new calculations are systematically compared to other work, it will be possible to correct some of the transition integrals, if necessary, to improve the line list. Since I already had the NIST C I data compilation (Wiese, Fuhr, and Deters 1996) with 1300 lines in my computer, I made up tables comparing with my new line data for the allowed and forbidden lines, WFDK04.DAT, WFDK04BIGDIFF.DAT, FORBIDDENNISTK04.DAT The new data have intermediate coupling and configuration interactions which mean that I have to make a line by line check of transition integrals and eigenvectors before I can draw any conclusion about differences. I also compared with the lifetimes computed by Hibbert, Biemont, Godefroid, and Vaeck 1993), LIFEHBGVK04.DAT. My lifetimes are shorter by about 15% for lifetimes that "agree". Detailed comparisons will be made in the future. I will also compare computed spectra to the solar spectrum. To make the data easier to use in the infrared, I now produce a wavenumber version of each line file which has an extension that begins with WN. There are *.pos,*.lines,*.low,*.pred and *.wnpos, *.wnlines, *.wnlow, and *.wnpred files. The *.pos files have lines between good energy levels that can be compared to observed spectra. The *.pred files have lines between predicted energy levels that can have large wavelength uncertainties. The *.lines files have all the lines in the *.pos and *.pred files and can be used for computing opacities statistically. The *.low files have all lines with upper levels below the first ionization potential. There is an annotated directory of the new files in 0600.README. Old files have been deleted. Read the [ATOMS] = /ATOMS description first. Directory KU5E:[ATOMS.0600] disk blocks=512B 0600.README;13 55 11-OCT-2004 15:45:03.11 Energy levels from Chang and Geller (1996 Physica Scripta 58,326), and from my Ritz and from my polarization calculations are given in B0600EX.COM, B0600OX.COM, B0600ER.COM, B0600OR.COM, B0600EP.COM, and B00600OP.COM. AA* are forbidden line lists with strengths given as log10 A. The *META files have lines only from metastable levels. AAM0600E.LINES;11 8970 15-SEP-2004 12:03:59.28 AAM0600E.POS;11 2236 15-SEP-2004 12:03:59.24 AAM0600E.WNLINES;15 8970 15-SEP-2004 12:05:12.43 AAM0600E.WNPOS;15 2236 15-SEP-2004 12:05:10.75 AAM0600EMETA.LINES;8 2 23-SEP-2004 22:24:24.52 AAM0600EMETA.WNLINES;8 2 23-SEP-2004 22:24:24.81 AAM0600O.LINES;6 11038 15-SEP-2004 12:05:19.37 AAM0600O.POS;6 3136 15-SEP-2004 12:05:19.34 AAM0600O.WNLINES;8 11038 15-SEP-2004 12:06:48.57 AAM0600O.WNPOS;8 3136 15-SEP-2004 12:06:46.62 AAQ0600E.LINES;4 70016 23-SEP-2004 21:56:43.40 AAQ0600E.POS;4 5734 23-SEP-2004 21:56:43.34 AAQ0600E.WNLINES;7 70016 23-SEP-2004 22:04:38.32 AAQ0600E.WNPOS;7 5734 23-SEP-2004 22:04:34.45 AAQ0600EMETA.LINES;5 2 23-SEP-2004 22:25:18.39 AAQ0600EMETA.WNLINES;5 2 23-SEP-2004 22:25:18.69 AAQ0600O.LINES;5 56108 23-SEP-2004 22:05:24.46 AAQ0600O.POS;5 6330 23-SEP-2004 22:05:24.41 AAQ0600O.WNLINES;8 56108 23-SEP-2004 22:12:24.66 AAQ0600O.WNPOS;8 6330 23-SEP-2004 22:12:20.71 B0600EX and B0600OX are the usual least squares fits to the observed levels. Suffixes X, R, and P stand for the special treatment of higher levels in C I. X are the observed levels. R are the Ritz levels. P are the polarization levels. B0600EP.COM;85 121 10-NOV-2004 23:39:22.24 B0600EP.LOG;53 297 14-NOV-2004 11:33:14.05 B0600ER.COM;148 126 16-NOV-2004 15:52:26.66 B0600ER.LOG;41 304 16-NOV-2004 15:52:39.91 B0600ER.PUN;6 195 8-AUG-2004 15:47:46.43 B0600EX.COM;2 689 20-NOV-2004 17:34:31.18 B0600EX.LOG;1 1371 20-NOV-2004 17:35:35.52 B0600EX.PUN;59 1290 20-NOV-2004 17:35:54.69 B0600OP.COM;62 136 14-NOV-2004 22:10:33.32 B0600OP.LOG;21 336 14-NOV-2004 22:11:03.57 B0600OR.COM;176 105 9-SEP-2004 12:23:23.95 B0600OR.LOG;61 258 9-NOV-2004 21:43:06.93 B0600OR.PUN;31 165 30-AUG-2004 21:00:51.92 B0600OX.COM;2 652 20-NOV-2004 17:35:11.88 B0600OX.LOG;1 1272 20-NOV-2004 17:36:08.98 B0600OX.PUN;146 1213 20-NOV-2004 17:36:25.63 Computes branching fractions BRANCH0600.COM;8 1 21-NOV-2004 11:20:31.00 Computes all eigenvalues once least squares has converged. C0600EX.COM;2 689 20-NOV-2004 17:36:48.37 C0600EX.LOG;2 1167 20-NOV-2004 17:37:22.45 C0600OX.COM;2 652 20-NOV-2004 17:36:22.19 C0600OX.LOG;2 1049 20-NOV-2004 17:37:01.28 Expands .LIN packed line files into user-readable formats. The user can modify EXPAND3007.FOR to his or her own needs. EXPAND3007.FOR;46 fortran program 15 7-SEP-2004 11:03:17.71 EX0600PP.COM;10 2 6-SEP-2004 15:29:27.73 EX0600PR.COM;11 2 6-SEP-2004 15:32:02.55 EX0600PX.COM;12 2 6-SEP-2004 15:32:41.73 EX0600RP.COM;12 2 6-SEP-2004 15:34:05.93 EX0600RR.COM;7 2 23-SEP-2004 19:35:28.27 EX0600RX.COM;15 2 19-NOV-2004 21:54:23.64 EX0600XP.COM;12 2 6-SEP-2004 15:29:00.60 EX0600XR.COM;18 2 19-NOV-2004 22:00:36.21 EX0600XX.COM;12 2 20-NOV-2004 18:08:36.74 EXM0600E.COM;9 3 14-SEP-2004 22:40:19.13 EXM0600EMETA.COM;6 2 12-SEP-2004 21:12:15.66 EXM0600O.COM;8 3 14-SEP-2004 22:47:31.45 EXM0600OMETA.COM;7 2 13-SEP-2004 22:28:48.10 EXPAND3007.FOR;46 15 7-SEP-2004 11:03:17.71 EXQ0600E.COM;7 3 14-SEP-2004 22:42:13.99 EXQ0600EMETA.COM;12 2 14-SEP-2004 19:08:40.78 EXQ0600O.COM;7 3 14-SEP-2004 22:51:41.82 EXQ0600OMETA.COM;9 2 14-SEP-2004 17:57:05.82 Extrapolates line series from upper level n=20 to n=99. EXTRAP99.COM;3 1 19-NOV-2004 22:29:33.65 EXTRAP99.FOR;17 7 20-NOV-2004 16:13:26.52 EXTRAP99F.COM;5 1 19-NOV-2004 22:29:23.14 EXTRAP99F.FOR;39 9 19-NOV-2004 22:48:38.75 Forbidden line comparison with Wiese, Fuhr, Deters (1996) NIST compilation FORBIDDENNISTK04.DAT;5 3 27-SEP-2004 11:46:48.97 GA* are forbidden line lists with strengths given as log10 gA. See GF0600 and GF0600XX below for explanations. GAQ0600E.COM;7 2 23-SEP-2004 21:50:45.87 GAQ0600E.GAM;13 174 16-NOV-2004 17:43:39.70 GAQ0600E.LIN;21 18153 23-SEP-2004 21:51:25.92 GAQ0600E.LINES;7 65107 19-NOV-2004 22:29:42.28 GAQ0600E.POS;15 826 19-NOV-2004 22:29:42.20 GAQ0600E.WNLINES;11 65107 19-NOV-2004 22:29:42.60 GAQ0600E.WNPOS;11 826 19-NOV-2004 22:29:42.55 GAQ0600EMETA.DAT;11 3 12-FEB-2004 22:32:43.63 GAQ0600EMETA.LINES;7 2 17-NOV-2004 14:02:40.53 GAQ0600EMETA.POS;7 2 17-NOV-2004 14:02:40.47 GAQ0600EMETA.WNLINES;7 2 17-NOV-2004 14:02:40.83 GAQ0600EMETA.WNPOS;7 2 17-NOV-2004 14:02:40.78 GAQ0600O.COM;4 2 22-SEP-2004 19:55:34.56 GAQ0600O.GAM;14 139 16-NOV-2004 17:38:02.51 GAQ0600O.LIN;24 14547 23-SEP-2004 21:53:45.79 GAQ0600O.LINES;8 56108 19-NOV-2004 22:20:43.34 GAQ0600O.POS;13 6330 19-NOV-2004 22:20:43.28 GAQ0600O.WNLINES;13 56108 19-NOV-2004 22:27:43.23 GAQ0600O.WNPOS;13 6330 19-NOV-2004 22:27:37.97 GF* are line lists with strengths given as log10 gf or are data derived from those line lists such as damping constants Branching fractions GF0600.BF;6 7151 21-NOV-2004 11:21:10.21 Extapolated series from n=21 to n=99 GF0600.99;10 4815 20-NOV-2004 16:13:41.01 GF0600.99F;9 2536 20-NOV-2004 16:19:08.54 *.GAM list energy levels, J, symbolic name of level, sum As, C4, C6, lande g, 3 largest eigenvector components C0600*.LOG GF0600.GAM;32 1139 16-NOV-2004 16:36:15.73 *.GAMMA The various sections of the calculation were combined to produce total sums for sum A. C4, C6 GF0600.GAMMA;10 1416 16-NOV-2004 17:24:37.81 Lifetimes GF0600.LIFE;13 98 20-NOV-2004 18:38:39.33 Packed line list GF0600.LIN;60 15166 22-SEP-2004 21:05:09.77 Lines with upper levels below first ionization limit. GF0600.LOW;22 9342 17-NOV-2004 13:04:53.80 Metastable levels GF0600.METALIFE;13 11 20-NOV-2004 18:38:39.42 Linelist for lines between known levels or Ritz levels or polarization levels. GF0600.POS;34 57899 21-NOV-2004 17:41:14.63 As above but with wavenumbers instead of wavelengths. GF0600.WN99;10 4815 20-NOV-2004 16:13:41.10 GF0600.WN99F;8 2536 20-NOV-2004 16:19:08.64 GF0600.WNBF;5 7151 21-NOV-2004 11:21:10.33 GF0600.WNLOW;37 9342 17-NOV-2004 13:15:22.34 GF0600.WNPOS;35 57899 21-NOV-2004 17:42:52.85 Lines with upper level n=20 from which to extapolate to n=99 GF0600ALL.20F;8 33/275 20-NOV-2004 11:32:16.09 GF0600ALL.20SPD;2 61/275 20-NOV-2004 16:06:06.51 All the allowed lines from each section combined into one file. GF0600ALL.COM;4 108 18-FEB-2004 22:38:22.64 GF0600ALL.POS;15 62483 23-SEP-2004 21:25:51.21 GF0600ALL.PRED;2 90790 26-SEP-2004 16:09:11.80 GF0600ALL.WNPOS;12 62483 23-SEP-2004 21:27:36.73 GF0600ALL.WNPRED;2 90790 26-SEP-2004 16:14:45.01 Merge sections into GF0600ALL. GF0600MERGE.COM;7 1 12-SEP-2004 17:44:13.91 GF0600MERGEPRED.COM;10 1 26-SEP-2004 16:11:09.37 Electric dipole calculations See GF0600XX below for explanations. GF0600PP.COM;15 2 22-SEP-2004 15:35:49.08 GF0600PP.EEE;2 120 17-AUG-2004 16:14:21.55 GF0600PP.GAM;32 394 16-NOV-2004 17:08:46.24 GF0600PP.GAMMA;11 491 20-NOV-2004 18:01:42.33 GF0600PP.LIN;58 2354 22-SEP-2004 21:06:13.41 GF0600PP.LOW;9 8676 17-NOV-2004 13:02:52.36 GF0600PP.POS;12 8676 17-NOV-2004 13:02:51.80 GF0600PP.WNLOW;17 8676 17-NOV-2004 13:04:39.08 GF0600PP.WNPOS;17 8676 17-NOV-2004 13:04:24.28 There are no transitions in this case. GF0600PR.COM;9 2 22-SEP-2004 21:48:03.98 GF0600PR.LIN;3 0 22-SEP-2004 21:46:05.00 GF0600PX.COM;10 2 23-SEP-2004 16:40:39.91 GF0600PX.GAM;13 689 16-NOV-2004 17:09:23.22 GF0600PX.GAMMA;11 857 20-NOV-2004 18:01:42.43 GF0600PX.LIN;22 97 23-SEP-2004 17:53:19.06 GF0600PX.LOW;8 373 17-NOV-2004 13:15:40.37 GF0600PX.POS;8 373 17-NOV-2004 13:15:39.69 GF0600PX.WNLOW;15 373 17-NOV-2004 13:15:51.68 GF0600PX.WNPOS;15 373 17-NOV-2004 13:15:46.56 GF0600RP.COM;7 2 22-SEP-2004 21:39:45.04 GF0600RP.GAM;11 402 16-NOV-2004 17:09:54.81 GF0600RP.GAMMA;11 501 20-NOV-2004 18:01:42.23 GF0600RP.LIN;10 631 23-SEP-2004 19:25:26.15 GF0600RP.LOW;6 2431 17-NOV-2004 13:16:02.00 GF0600RP.POS;6 2431 17-NOV-2004 13:16:01.68 GF0600RP.WNLOW;11 2431 17-NOV-2004 13:16:39.36 GF0600RP.WNPOS;11 2431 17-NOV-2004 13:16:31.84 GF0600RR.COM;8 2 22-SEP-2004 15:51:53.29 GF0600RR.GAM;15 355 16-NOV-2004 17:11:05.30 GF0600RR.GAMMA;11 438 20-NOV-2004 18:01:42.03 GF0600RR.LIN;34 3666 22-SEP-2004 21:26:00.61 GF0600RR.LOW;4 14138 17-NOV-2004 13:16:53.39 GF0600RR.POS;4 14138 17-NOV-2004 13:16:52.96 GF0600RR.WNLOW;7 14138 17-NOV-2004 13:20:03.69 GF0600RR.WNPOS;7 14138 17-NOV-2004 13:19:39.95 GF0600RX.COM;7 2 22-SEP-2004 19:47:09.34 GF0600RX.GAM;10 696 16-NOV-2004 17:13:35.60 GF0600RX.GAMMA;11 866 20-NOV-2004 18:01:42.13 GF0600RX.LIN;16 8611 22-SEP-2004 21:07:50.24 GF0600RX.LOW;13 11762 22-NOV-2004 12:11:32.45 GF0600RX.POS;14 11788 22-NOV-2004 12:11:32.30 GF0600RX.WNLOW;25 11762 22-NOV-2004 12:14:53.69 GF0600RX.WNPOS;26 11788 22-NOV-2004 12:14:16.12 GF0600XP.COM;9 2 22-SEP-2004 19:45:15.89 GF0600XP.GAM;4 845 16-NOV-2004 17:14:07.80 GF0600XP.GAMMA;11 1050 20-NOV-2004 18:01:41.93 GF0600XP.LIN;5 105 22-SEP-2004 21:15:27.73 GF0600XP.LOW;9 404 22-NOV-2004 12:10:41.62 GF0600XP.POS;9 404 22-NOV-2004 12:10:41.50 GF0600XP.WNLOW;17 404 22-NOV-2004 12:10:45.69 GF0600XP.WNPOS;17 404 22-NOV-2004 12:10:44.58 GF0600XR.COM;10 2 22-SEP-2004 19:43:48.82 GF0600XR.GAM;10 798 16-NOV-2004 17:16:08.66 GF0600XR.GAMMA;11 992 20-NOV-2004 18:01:41.84 GF0600XR.LIN;16 8026 22-SEP-2004 21:14:57.67 GF0600XR.LOW;19 10564 22-NOV-2004 12:07:27.06 GF0600XR.POS;19 10618 22-NOV-2004 12:07:26.89 GF0600XR.WNLOW;36 10564 22-NOV-2004 12:10:32.85 GF0600XR.WNPOS;36 10618 22-NOV-2004 12:09:58.02 GF0600XX.COM;4 2 20-NOV-2004 17:43:56.16 GF0600XX.GAM;2 1139 20-NOV-2004 17:47:50.08 GF0600XX.GAMMA;2 1416 20-NOV-2004 18:01:41.69 GF0600XX.LOW;3 9342 22-NOV-2004 12:01:32.27 GF0600XX.POS;4 9471 22-NOV-2004 12:01:32.14 As above but with wavenumbers instead of wavelengths. GF0600XX.WNLOW;5 9342 22-NOV-2004 12:07:19.93 GF0600XX.WNPOS;21 9471 22-NOV-2004 12:06:15.17 GFM* are magnetic dipole line lists with strengths given as log10 gf. GFM0600E.LINES;15 8970 19-NOV-2004 22:17:45.20 GFM0600E.POS;20 2236 19-NOV-2004 22:17:45.15 GFM0600E.WNLINES;19 8970 19-NOV-2004 22:18:49.98 GFM0600E.WNPOS;19 2236 19-NOV-2004 22:18:48.48 GFM0600EMETA.LINES;10 2 17-NOV-2004 14:02:54.94 GFM0600EMETA.POS;10 2 17-NOV-2004 14:02:54.89 GFM0600EMETA.WNLINES;10 2 17-NOV-2004 14:02:55.22 GFM0600EMETA.WNPOS;10 2 17-NOV-2004 14:02:55.18 GFM0600O.LINES;9 11038 19-NOV-2004 22:19:03.69 GFM0600O.POS;14 3136 19-NOV-2004 22:19:03.64 GFM0600O.WNLINES;13 11038 19-NOV-2004 22:20:26.50 GFM0600O.WNPOS;13 3136 19-NOV-2004 22:20:24.25 GFMERGEEMQ0600.COM;2 1 16-SEP-2004 15:30:18.60 GFMERGEPOS0600.COM;2 1 8-FEB-2004 17:44:45.17 GFQ* are electric quadrupole line lists with strengths given as log10 gf. GFQ0600E.LINES;7 65107 19-NOV-2004 22:29:42.39 GFQ0600E.POS;14 826 19-NOV-2004 22:29:42.34 GFQ0600E.WNLINES;11 65107 19-NOV-2004 22:29:42.71 GFQ0600E.WNPOS;11 825 19-NOV-2004 22:29:42.65 GFQ0600EMETA.LINES;7 2 17-NOV-2004 14:02:40.62 GFQ0600EMETA.POS;7 2 17-NOV-2004 14:02:40.57 GFQ0600EMETA.WNLINES;7 2 17-NOV-2004 14:02:40.93 GFQ0600EMETA.WNPOS;7 2 17-NOV-2004 14:02:40.88 GFQ0600O.LINES;8 56108 19-NOV-2004 22:20:43.44 GFQ0600O.POS;13 6330 19-NOV-2004 22:20:43.39 GFQ0600O.WNLINES;13 56108 19-NOV-2004 22:28:22.34 GFQ0600O.WNPOS;13 6330 19-NOV-2004 22:28:18.04 Compute Hamiltonian matrices H0600EP.COM;21 7 18-JUL-2004 21:31:05.77 H0600ER.COM;11 8 6-AUG-2004 21:40:39.90 H0600EX.COM;4 11 7-FEB-2004 15:39:24.88 H0600OP.COM;13 8 18-JUL-2004 21:33:17.43 H0600OR.COM;8 7 14-JUL-2004 12:19:52.19 H0600OX.COM;3 11 8-FEB-2004 15:39:52.79 Hartree-Fock *.pun is Cowan's format *.dat is Kurucz *.rrr are transition integrals HF0600P.COM;7 12 22-JUL-2004 19:58:58.16 HF0600P.DAT;10 117 22-SEP-2004 14:59:46.62 HF0600P.PUN;7 654 22-SEP-2004 14:59:46.52 HF0600P.RRR;4 434 22-SEP-2004 14:59:46.73 HF0600PR.COM;5 8 23-SEP-2004 14:52:32.64 HF0600PR.DAT;2 120 23-SEP-2004 14:56:31.09 HF0600PR.PUN;2 675 23-SEP-2004 14:56:31.00 HF0600PR.RRR;9 172 23-SEP-2004 15:32:11.81 HF0600PX.COM;2 10 22-SEP-2004 16:40:09.16 HF0600PX.DAT;3 221 23-SEP-2004 17:00:54.62 HF0600PX.PUN;3 1299 23-SEP-2004 17:00:54.51 HF0600PX.RRR;4 848 23-SEP-2004 17:00:54.70 HF0600R.COM;4 13 2-AUG-2004 14:58:22.61 HF0600R.DAT;9 149 22-SEP-2004 14:51:12.87 HF0600R.PUN;9 881 22-SEP-2004 14:51:12.77 HF0600R.RRR;9 587 22-SEP-2004 14:51:12.98 HF0600RP.COM;3 13 22-SEP-2004 19:41:26.34 HF0600RP.DAT;2 146 22-SEP-2004 20:17:14.67 HF0600RP.PUN;2 857 22-SEP-2004 20:17:14.41 HF0600RP.RRR;13 207 22-SEP-2004 21:38:46.89 HF0600RX.COM;2 11 22-SEP-2004 16:26:44.60 HF0600RX.DAT;1 250 22-SEP-2004 17:01:49.99 HF0600RX.PUN;1 1543 22-SEP-2004 17:01:49.71 HF0600RX.RRR;1 1018 22-SEP-2004 17:01:50.14 HF0600X.COM;11 14 7-FEB-2004 15:48:40.03 HF0600X.DAT;10 345 22-SEP-2004 13:00:45.39 HF0600X.PUN;7 2210 22-SEP-2004 13:00:45.29 HF0600X.RRR;3 1460 22-SEP-2004 13:00:45.49 HF0600XP.COM;3 11 22-SEP-2004 16:19:04.17 HF0600XP.DAT;3 241 22-SEP-2004 19:41:03.69 HF0600XP.PUN;3 1440 22-SEP-2004 19:41:03.60 HF0600XP.RRR;7 323 22-SEP-2004 20:21:16.40 HF0600XR.COM;5 11 22-SEP-2004 17:53:38.52 HF0600XR.DAT;1 244 22-SEP-2004 17:59:33.13 HF0600XR.PUN;1 1467 22-SEP-2004 17:59:33.03 HF0600XR.RRR;1 964 22-SEP-2004 17:59:33.23 Comparison with Hibbert. Biemont, Godefroid, and Vaeck (1993). LIFEHBGVK04.DAT;9 9 26-SEP-2004 20:12:15.41 Compute LS transition arrays LS0600PP.COM;5 14 14-JUL-2004 12:44:44.95 LS0600PP.SIZ;4 6 30-JUL-2004 22:26:10.13 LS0600PR.COM;6 13 23-SEP-2004 11:29:14.18 LS0600PR.SIZ;4 1 23-SEP-2004 11:33:27.59 LS0600PX.COM;3 17 11-AUG-2004 17:17:36.07 LS0600PX.SIZ;2 2 11-AUG-2004 17:22:57.73 LS0600RP.COM;5 15 14-JUL-2004 15:48:41.07 LS0600RP.SIZ;3 2 14-JUL-2004 15:59:53.45 LS0600RR.COM;6 14 14-JUL-2004 15:43:36.30 LS0600RR.SIZ;3 4 14-JUL-2004 15:47:36.58 LS0600RX.COM;7 18 13-JUL-2004 22:59:14.46 LS0600RX.SIZ;3 4 13-JUL-2004 23:04:10.18 LS0600XP.COM;3 18 11-AUG-2004 17:11:28.79 LS0600XP.SIZ;2 2 11-AUG-2004 17:16:26.77 LS0600XR.COM;5 17 13-JUL-2004 22:55:30.18 LS0600XR.SIZ;3 4 13-JUL-2004 22:59:23.94 LS0600XX.COM;4 21 20-NOV-2004 17:42:01.75 LS0600XX.SIZ;2 4 20-NOV-2004 17:47:28.09 LSM0600EX.COM;3 11 22-NOV-2004 14:11:48.61 LSM0600EX.SIZ;2 3 22-NOV-2004 14:27:02.80 LSM0600OX.COM;2 11 22-NOV-2004 14:12:54.43 LSM0600OX.SIZ;1 3 22-NOV-2004 14:22:03.01 LSQ0600EX.COM;2 11 22-NOV-2004 14:10:21.68 LSQ0600EX.SIZ;1 4 22-NOV-2004 14:12:40.21 LSQ0600OX.COM;3 11 22-NOV-2004 14:31:36.04 LSQ0600OX.SIZ;2 4 22-NOV-2004 14:34:13.22 Partition function PARTFN0600.COM;1 1 5-OCT-2003 21:07:57.15 PARTFN0600.DAT;2 62 24-SEP-2004 16:16:14.56 Compute polarization average energies POLAR0600.DAT;17 277 22-MAY-2004 16:29:26.17 POLAR0600.FOR;25 4 22-MAY-2004 16:28:56.39 POLARIZATION.FOR;33 3 13-FEB-2004 17:31:55.84 POLARPF.FOR;7 5 11-SEP-2004 20:53:31.02 Wavefunctions W0600.COM;127 73 25-SEP-2004 14:53:31.06 W0600.DAT;104 5772 25-SEP-2004 15:07:33.16 W0600.LOG;42 5329 3-SEP-2004 12:26:48.01 W0600E.DAT;106 5814 25-SEP-2004 16:15:13.20 W0600O.DAT;105 5730 25-SEP-2004 16:18:46.65 Wiese, Fuhr, Deters (1996) NIST compilation WFD0600.DAT;39 217 18-APR-2001 16:38:32.61