KURUCZ CD-ROM 18: SYNTHE SPECTRUM SYNTHESIS PROGRAMS AND LINE DATA This CD-ROM contains the spectrum synthesis programs and line data that I actually use as of 3 December 1993. The programs and line lists are under development and were not written or designed to be distributed in their present form. The programs contain bugs. I make improvements and corrections every day with no concern for backward compatibility. All of the molecular line data must be revised. Some of it is 15 years old. Do not use any of them blindly for abundance analyses. During the next year I plan to redo all of it and to add additional species. The new lists will be thoroughly documented and distributed on CD-ROMs. On the present CD the data have been reformatted uniformly and all the isotopes have been put together. For a specialized application, editing the files will save a huge amount of time. They also can be set up with direct reads instead of sequential. The quality of the TiO data is so low that I refuse to give it out. The atomic data also need improvement. During the next year I plan to recompute the iron group lists using new laboratory analyses and more confi- gurations. I will also work on the lighter and heavier elements. Inclusions from the literature are not up to date. At the moment I have practical diffi- culties putting together my computed values, literature values, hyperfine splitting, and isotopic splitting without getting confused. Austin Gulliver has produced a file, which I have named gulliver.dat, that is an updated version of gfironlab.dat using the NIST compilation. My hyperfine files are based on earlier work and so are inconsistent. I have not included anything about hyperfine or isotopic splitting on this CD. When new CDs are made for the atomic data, known splittings will be included. Atmospheric transmission is not included on this CD because of problems with the O2 isotopes. Robert Kurucz Spectrum Synthesis Programs for the VAX Familiarity with the ATLAS model atmosphere program is assumed. I expect the user to read through the fortran. These are not black boxes. Compilations have to be either all D-floating or all G-floating except for MOLDECK which must be G-floating but produces only formatted output (G_floating exponents +/-308, F_floating exponents +/-38). Binary data have to have the same exponents as the fortran. These complications date from our having one of the original VAXes with slow microcode G_floating. Someday I will clean up the mess and go to all real*8 and large exponents. I have included three sample runs with and without molecules and with and without hand editing of the line data. XNFPELSYN pretabulates tables of continuum opacities, number densities/ partition functions, and doppler widths. Line data are read in and processed by the SYNTHE series of programs. starting with SYNBEG.FOR . SYNTHE outputs line opacities and line data on TAPE9. SPECTRV reads the opacity on TAPE9 and the model and computes the spectrum which it writes on TAPE7. In these examples intensities are computed at 17 angles. ROTATE rotationally broadens the spectrum by integrating the intensities over the disk and writes to ROTi for each velocity requested. In these examples the first velocity is 0 km/s to see what the unbroadened, less blended spec- trum looks like. The rotated spectrum is then broadened twice by BROADEN. First by macro- turbulence and then by a Gaussian instrumental profile. Next each spectrum is plotted by PLOTSYNIM with the vector output in a .VEC file. The two vector files are combined into one by MERGEPLOT . For the solar example the solar flux atlas is also plotted. Each plot file is just a list of vectors. The plotting routines were originally set up for a 200 dot per inch, 10.56 inch wide, Versatec electro- static plotter. They are now run on a 300 dot per inch, 11 inch by 17 inch Imagen laser printer, but they have not been completely changed over. Measurements in inches still assume 200 dots per inch so dimensions given are 1.5 times larger than the final result. You will have to write a program to convert the plot files to your plotter. The program LAPLOT is a sample program that reads the vector files and converts to the appropri- ate format at Los Alamos. Programs are also included for translating the vector files to Postscript vectors or to a compressed level 2 Postscript raster image. AAREADME.TAB * ATLAS VARIANTS ATLAS7V.COM A version of ATLAS that provides a subroutine library ATLAS7V.FOR used by the other programs. MOLDECK.COM Pretabulates molecular number densities/partition MOLDECK.FOR functions for a model. Uses G_floating real*8 so the dynamic range is +/-308. XNFPELSYN.COM Pretabulates number densities/partition functions XNFPELSYN.FOR for SYNTHE. SPECTRV.COM Computes the spectrum. SPECTRV.FOR CONTINUA.DAT List of photoionization edges that ATLAS7V recognizes. ABORT.FOR On a VAX causes the whole job to abort, not just a program step. Change to whatever works on your computer or leave as an unsatisfied external. BEGTIME.FOR Timing routine. If it does not work put in a dummy or use your own, or comment out all the references to it. * INDEPENDENT PROGRAMS. SYNBEG.COM Reads the input parameters SYNBEG.FOR RNLTE.FOR Reads ASCII line data. RLINE.FOR RBELL.FOR RGFIRON.FOR Reads GFIRON.DAT. DELETEGFIRON.DAT RMOLEC.FOR Reads *.BIN molecule files. SYNTHE.COM Computes the line opacity spectrum. SYNTHE.FOR SPECTRV.COM Computes the spectrum. SPECTRV.FOR ROTATE.COM Rotationally broadens the spectrum. ROTATE.FOR BROADEN.COM Broadens the spectrum instrumentally or with macroturb. BROADEN.FOR VARIBROADEN.FOR Uses a broadening profile that varies with wavelength. PLOTSYNIM.COM Plots a spectrum together together with observations PLOTSYNIM.FOR and produces a *.VEC vector file. PLOTPACKIM.FOR Plotting utilities. MERGEPLOT.COM Merges two *.VEC files. MERGEPLOT.FOR RASTERPOST.FOR Rasterizes, Postscripts, and compresses a *.VEC file. Invoked by command RASTERPLOT RASTERPOSTOVER.FOR Also adds an overlay to the plot. Invoked by command RASTEROVERLAY LZWA85SUB.C C subroutine for compression. Level 2 Postscript. * SAMPLE RUNS. MOD1140.DAT Input model. 11000,4 XNFP1140.COM Pretabulate number densities/partition functions. XNFP1140.LOG TESTHOT.COM Sample run without molecules. TESTHOT.LOG TESTHOT.PS Postscript level 2 plot MOLSUN.COM Compute number densities/partition function for MOLSUN.DAT molecules for solar model. MOLSUN.LOG MODSUN.MOL Solar model with molsun.dat added to end. XNFPSUN.COM Pretabulate number densities/partition functions. XNFPSUN.LOG TESTCOOL.COM Sample run with molcules. TESTCOOL.LOG TESTCOOL1.PS Postscript level 2 plot TESTCOOL2.PS PUNCHL400.DAT Output line data from TESTCOOL. This is all lines that were used in the calculation. The lines at the beginning from NLTELINES.DAT must be edited out. Either make them into a separate file to be read by RNLTE or throw them away and reread NLTELINES.dat. SORTPUNCHL400.COM Sort line data for convenience. SORTPUNCHL400.LOG PUNCHL400.SRT Sorted line data that can now be hand-edited. Find the changes I made. TESTCOOLIT.COM An iteration on the spectrum calculation with the TESTCOOLIT.LOG with the modified line data. TESTCOOLIT1.PS Postscript level 2 plot TESTCOOLIT2.PS Postscript level 2 plot * CONVERT ASCII FILES TO BINARY MAKEGFIRONQ.COM Convert iron group atoms MAKEGFIRONQ.FOR MAKEGFIRONQ.LOG MOLBIN.COM Convert diatomic molecules MOLBIN.FOR C2AX.LOG C2BA.LOG C2DA.LOG C2EA.LOG CNAX.LOG CNBX.LOG COAX.LOG COXX.LOG H2.LOG HYDRIDES.LOG MAKESOLARFLUX.COM Convert solar flux atlas to binary MAKESOLARFLUX.FOR MAKESOLARFLUX.LOG * UTILITIES These may not be updated to the current version so check them. ASCIIBIN.FOR Converts a computed spectrum file from ASCII to binary. ASCIISYN.FOR Converts a computed spectrum file from binary to ASCII. ASK.FOR Reads a spectrum file and writes out wavelength- residual pairs for us in simple plotting programs. BINARY.FOR Combines to spectra to form a binary spectrum. INTEGRATE.FOR Integrates a spectrum between two wavelengths. LAPLOT.FOR Sample program that shows how to convert from my vector format to some other format. MERGESYN.FOR Merges to spectra, or parts of spectra, into one. PLOTGRIDIM.COM Makes a "graphpaper" overlay that can be added to plots. PLOTGRIDIM.FOR PSPLOTLEDGER.FOR Converts my vector files to postscript vector files. PSPLOTLETTER.FOR PUNCHLINE.FOR Writes out the line data from a spectrum file. READVEC.FOR Reads a binary vector file and prints it in ASCII. SQUASHSYN.FOR Reduces the resolution and number of points in a spectrum. SYNTHETOATLAS.FOR Converts a spectrum to ATLAS9 format. Directory KUR5:[KURUCZ.SYNTHECD] AAREADME.TAB;18 36/36 4-DEC-1993 20:35:21.57 ABORT.FOR;1 1/3 27-JUL-1985 14:24:55.96 ASCIIBIN.FOR;3 5/6 9-AUG-1985 11:10:48.91 ASCIISYN.FOR;5 6/6 11-JUN-1993 16:27:23.05 ASK.FOR;2 2/3 5-MAR-1993 23:29:17.05 ATLAS7V.COM;2 1/3 16-APR-1985 11:42:42.54 ATLAS7V.FOR;66 709/711 13-AUG-1993 00:13:53.19 BEGTIME.FOR;3 1/3 11-SEP-1988 11:04:54.00 BINARY.FOR;2 8/9 3-DEC-1993 23:43:17.34 BROADEN.COM;3 1/3 21-SEP-1985 11:42:35.40 BROADEN.FOR;9 14/15 8-AUG-1993 15:34:06.82 C2AX.LOG;2 75/75 19-NOV-1993 23:48:17.56 C2BA.LOG;3 211/213 19-NOV-1993 23:48:46.32 C2DA.LOG;3 147/147 19-NOV-1993 23:49:02.48 C2EA.LOG;3 196/198 19-NOV-1993 23:49:19.69 CNAX.LOG;3 231/231 19-NOV-1993 23:50:39.11 CNBX.LOG;2 67/69 19-NOV-1993 23:51:04.54 COAX.LOG;2 73/75 20-NOV-1993 00:07:42.48 CONTINUA.DAT;1 7/9 23-JAN-1984 22:29:23.54 COXX.LOG;2 30/30 20-NOV-1993 00:07:08.70 DELETEGFIRON.DAT;4 1/3 10-JUN-1988 01:27:24.21 H2.LOG;2 7/9 20-NOV-1993 00:08:12.17 HYDRIDES.LOG;4 63/63 2-DEC-1993 22:54:24.19 INTEGRATE.FOR;3 3/3 4-FEB-1992 14:32:06.73 LAPLOT.COM;1 1/3 14-JUL-1984 12:01:41.69 LAPLOT.FOR;9 5/6 14-JUL-1984 11:59:00.09 LZWA85SUB.C;9 11/12 5-NOV-1993 17:20:58.35 MAKEGFIRONQ.COM;7 1/3 18-JAN-1989 16:39:56.41 MAKEGFIRONQ.FOR;17 8/9 1-DEC-1993 12:59:06.01 MAKEGFIRONQ.LOG;2 133/135 12-SEP-1988 21:47:12.19 MAKESOLARFLUX.COM;2 1/3 3-DEC-1993 17:01:33.76 MAKESOLARFLUX.FOR;4 35/36 3-DEC-1993 17:14:24.99 MAKESOLARFLUX.LOG;3 361/363 3-DEC-1993 17:20:53.06 MERGEPLOT.COM;2 1/3 11-OCT-1985 10:15:21.48 MERGEPLOT.FOR;6 9/9 12-OCT-1985 10:53:50.67 MERGESYN.FOR;15 5/6 30-JUN-1993 23:59:21.50 MOD1140.DAT;6 14/15 2-DEC-1993 22:27:26.40 MODSUN.MOL;3 245/246 3-DEC-1993 20:00:09.99 MOLBIN.COM;33 3/3 30-NOV-1993 20:50:58.10 MOLBIN.FOR;10 3/3 19-NOV-1993 22:01:01.09 MOLDECK.COM;5 1/3 2-DEC-1993 17:24:48.25 MOLDECK.FOR;5 9/9 18-JAN-1993 16:46:10.46 MOLSUN.COM;3 27/27 3-DEC-1993 15:42:33.41 MOLSUN.DAT;1 231/231 3-DEC-1993 15:43:26.44 MOLSUN.LOG;2 584/585 3-DEC-1993 23:03:20.84 PLOTGRIDIM.COM;37 4/6 1-NOV-1993 21:53:05.49 PLOTGRIDIM.FOR;19 3/3 21-OCT-1993 22:55:45.69 PLOTPACKIM.FOR;12 369/369 26-MAY-1988 11:33:21.55 PLOTSYNIM.COM;2 1/3 20-SEP-1986 15:47:16.57 PLOTSYNIM.FOR;216 222/222 3-DEC-1993 00:32:24.66 PSPLOTLEDGER.FOR;1 6/6 22-OCT-1993 17:29:27.50 PSPLOTLETTER.FOR;2 6/6 22-OCT-1993 17:28:36.21 PUNCHL400.DAT;12 118/120 4-DEC-1993 15:39:30.46 PUNCHL400.SRT;8 114/114 3-DEC-1993 21:39:14.98 PUNCHLINE.FOR;2 3/3 21-MAY-1989 15:16:47.11 RASTERPOST.FOR;32 37/39 9-NOV-1993 18:46:30.67 RASTERPOSTOVER.FOR;16 38/39 9-NOV-1993 20:57:22.18 RBELL.FOR;26 31/33 14-APR-1993 21:31:11.76 READVEC.FOR;6 5/6 8-MAY-1984 21:14:45.30 RGFIRON.FOR;18 30/30 6-APR-1993 18:03:29.18 RLINE.FOR;26 34/36 13-FEB-1993 20:47:41.15 RMOLEC.FOR;9 34/36 17-NOV-1993 21:36:32.35 RNLTE.FOR;23 37/39 8-NOV-1993 18:22:52.04 ROTATE.COM;1 1/3 28-NOV-1981 20:44:10.50 ROTATE.FOR;8 47/48 27-OCT-1990 10:51:56.94 SIOAX.LOG;2 138/138 20-NOV-1993 00:10:22.80 SIOEX.LOG;2 172/174 20-NOV-1993 00:10:42.91 SIOXX.LOG;2 23/24 20-NOV-1993 00:19:26.14 SORTPUNCHL400.COM;2 1/3 3-DEC-1993 21:03:59.78 SORTPUNCHL400.LOG;3 2/3 3-DEC-1993 21:11:47.05 SPECTRV.COM;3 1/3 22-JUL-1985 11:55:31.50 SPECTRV.FOR;39 79/81 18-OCT-1993 16:17:11.67 SQUASHSYN.FOR;7 3/3 30-JAN-1993 19:47:08.25 SYNBEG.COM;1 1/3 9-APR-1984 00:22:55.88 SYNBEG.FOR;18 12/12 13-FEB-1993 22:04:48.56 SYNTHE.COM;1 1/3 16-JUL-1985 15:17:31.69 SYNTHE.FOR;112 95/96 3-DEC-1993 14:08:18.41 SYNTHETOATLAS.FOR;2 3/3 1-DEC-1993 20:21:40.92 TESTCOOL.COM;15 11/12 3-DEC-1993 20:02:53.24 TESTCOOL.LOG;12 1744/1746 3-DEC-1993 21:29:22.59 TESTCOOL1.PS;1 247/249 4-DEC-1993 20:13:15.06 TESTCOOL2.PS;1 245/246 4-DEC-1993 20:13:39.29 TESTCOOLIT.COM;5 9/9 3-DEC-1993 21:40:22.65 TESTCOOLIT.LOG;6 1644/1644 3-DEC-1993 22:24:46.85 TESTCOOLIT1.PS;1 246/246 4-DEC-1993 20:10:25.86 TESTCOOLIT2.PS;2 244/246 4-DEC-1993 20:10:48.68 TESTHOT.COM;10 9/9 3-DEC-1993 20:07:18.48 TESTHOT.LOG;8 1303/1305 3-DEC-1993 23:06:44.82 TESTHOT.PS;1 159/159 4-DEC-1993 20:15:48.65 VARIBROADEN.FOR;6 12/12 2-OCT-1993 11:56:26.11 XNFP1140.COM;3 1/3 2-DEC-1993 22:34:21.63 XNFP1140.LOG;3 1652/1653 2-DEC-1993 23:00:10.64 XNFPELSYN.COM;3 1/3 22-MAY-1990 17:03:21.16 XNFPELSYN.FOR;9 41/42 30-APR-1993 11:22:30.48 XNFPSUN.COM;2 1/3 3-DEC-1993 15:47:20.90 XNFPSUN.LOG;4 2076/2076 3-DEC-1993 20:08:27.81 Total of 96 files, 14899/15003 blocks. ASCII LINE FILES NLTELINES.DAT Line list for light elemetns that can be treated in non-LTE by Avrett GFIRONLAB.DAT Lines for iron group elements with measured gf values BELLLIGHT.DAT Lines for light elements collected by Barbara Bell BELLHEAVY.DAT Lines for heavy elements collected by Barbara Bell GULLIVER.DAT GFIRONLAB.DAT updated by Austin Gulliver from the NIST compilation. Directory KUR5:[KURUCZ.LINESCD] BELLHEAVY.DAT;5 6006/6006 14-APR-1993 21:37:08.04 BELLLIGHT.DAT;9 13046/13047 20-NOV-1993 22:46:18.39 GFIRONLAB.DAT;16 1572/1572 23-JUN-1991 17:50:36.47 GULLIVER.DAT;2 3074/3075 25-NOV-1991 20:19:39.14 NLTELINES.DAT;23 9956/9957 19-NOV-1993 17:29:39.61 Total of 5 files, 33654/33657 blocks. Directory PKU2F:[KURUCZ] SOLARFLUX.ASC;1 49735/49737 3-DEC-1993 16:15:05.51 Total of 1 file, 49735/49737 blocks.