Gas Temperature = 1000 K, 1100 K, 1200 K, 1300 K, 1400 K, 1500 K, 1500 K, 1700 K, 1800 K, 1900 K, 2000 K, -1 * Sample Run for SiO * Note that 20 rotational levels are always included in each vib level * Instructions for data input are found at the end of the input file Want Plotfile (*.plot) (yes or no) = yes Molecule = SiO Number of energy levels = 80 n_H2 = 1.0e9 cm-3 Molecular abundance (n_mol/n_H2) = 1.0e-4 overlap = off Escape probability (LVG or slab) = slab Velocity = 1 km/sec (Enter Doppler Width for slab) dlogV/dlogr = 1. (in effect only for LVG) Include maser saturation = yes Maser filament aspect ratio = 1. Number of collision partners = 1 weight = 1 collision rates option = semi-analytic data file = SiO_H2.kij calculation option = SiO_rovib scaling factor = 1.0 External Radiation: (CMB always included) Geometrically diluted blackbody fields: W =.000002 ; T_bb = 2500 K W = 0 ; T_bb = 500 K Dust radiation: Dust tau at visual = 1. Dust temperature = 500 K Dust tau at visual = 0. Dust temperature = 100 K Radiation from DUSTY file = none Luminosity = 1.E4 Lo Distance from source = 3.E15 cm Solution strategy = increasing start with all optical depths less than tau_m = 10 stop when dimension exceeds R_m = 3.E14 cm or H2 column exceeds N_col = 1.E26 cm^-2 Number of printings per decade = 9 Maximum number of dimension steps allowed per decade = 10 Tota number of steps allowed to reach any limit = 100 Accuracy in NEWTON subroutine = 1.0e-4 Maximum number of iterations in Newton = 40 PRINT CONTROL PARAMATERS Printing of molecular data (on or off): Print energy level data = off statistical weights g_i = on energy in cm^{-1} = on energy in GHz = on energy in K = on quantum numbers = on Print transition data = on wavelength in micron = on energy in GHz = on energy in K = off Einstein coefficients A_ij = on collision rates C_ij = on Stop after printing molecular data = off Messages from NEWTON (off or on) = off Messages from step-size selector (off or on) = on Printing output for initial guess (off or on) = off information on each step (off or on)= on print detailed populations (off or on) = off Number of cooling lines to print = 0 the number of transitions = 2 i = 22 j = 21 (v eq 1, J eq 1 to 0) i = 23 j = 22 (v eq 2, J eq 1 to 1) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Instructions for Entering Input 1. The first line in this file must be of the form Gas Temperature = 50k,100k -1 The code will then loop over the entered temperatures 2. Decide whether to have a PLOT file created. This file has the extension .plot and will contain output for the specific transitions selected at the end of the data input 3. MOLECULAR species and number of energy levels Molecule - current species are H2O_ortho, H2O_para, OH, SiO, CO Maximum number of energy levels ortho H2O 48 para H2O 48 OH 32 (only 24 if using Offer collision rates) SiO 100 (J = 0--19 for v = 0--4) CO depends on choice of cross sections Depending on the temperature, you may wish to specify a smaller number than the maximum possible. There's no point in carrying levels with extremely small population. They only make the numerics difficult without adding any physical meaning 4. n_H2 - Molecular hydrogen density (molecules/cm-3) 5. n_mol/n_H2 - Fractional abundance relative to H2 6. Decide whether to include the effects of line overlap. 7. Escape probability is either LVG or slab. For LVG, the velocity is the local expansion velocity in the Sobolev approximation and dlogV/dlogR its logarithmic derivative. The velocity must exceed the thermal speed in this case. The dimension R is the local radius . For slab, the velocity is the microturbulent Doppler Width. The linewidth used in the calculations will be the larger of the entered Doppler Width or the thermal Doppler Width. dlogV/dlogR is ignored in the slab model(but it still must be entered). The dimension R is the slab thickness. Escape probability calculation is based on KROLIK AND MCKEE, AP. J. SUPP. 37, P459 (1978). The calculated optical depth is now evaluated at line center. 8. Maser radiation affects level populations if Maser Saturation is included. 9. Maser filament aspect ratio must be >= 1. If it is one, then maser geometry is neglected. A value >1 corresponds to filamentary maser. Maser tau is multiplied by aspect and beaming angle is found from eq 3.26 Elitzur et al.,ApJ,367,333,1991. 10. Collisional data - First entry is the number of collision partners. Collision data for each collision partner contains five lines. All five must be specified, although some may be ignored. 1st line contains a relative weight for the collision partner; will be translated to a fractional abundance relative to H2 2nd line - one of the following options for the rate coefficients: "table" "semi-analytic" "analytic" 3rd line - one of the following data file names (ignored for "analytic"): "table" 'H2Oo_H2.kij' for ortho H2O -- H2 'H2Op_H2.kij' for para H2O -- H2 'OH_H2o.kij' for OH -- H2 ortho 'OH_H2p.kij' for OH -- H2 para "semi-analytic" 'SiO_H2.kij' for "SiO_rovib" 'CO_H2.kij' for "CO_ab_initio" 4th line contains calculation options as follows: for "table" the extrapolation law beyond tabulated temperatures "sqrt(T)" continuation from the table's extreme T "const" -- uses same rate as the table's extreme T for "semi-analytic" currently available options are "SiO_rovib" for SiO--H2 (used with 'SiO_H2.kij'; Bieniek & Green 1983, ApJ 265, L29) "CO_ab_initio" for CO--H2 (used with 'CO_H2.kij'; McKee et al 1982, ApJ 259, 647) for "analytic" currently available options are "hard_sphere" for any molecule "surprisal" for OH--H2 and CO--H2 (Procaccia & Levine 1975, J. Chem. Phys., 63, 4261) "close_coupling" for CO--H2 (analytic formula by de Jong, Chu & Dalgarno 1975, ApJ 199, 69) 5th line specifies an optional scaling factor from nominal x-section; in effect only for "hard_sphere" and "surprisal"; ignored otherwise EXAMPLE - following uses OH Offer collisions with H2 where ortho:para = 3:1 Number of collision partners = 2 weight = 3 collision rates option = table data file = OH_H2o.kij calculation option = sqrt(T) scaling factor = 1.0 weight = 1 collision rates option = table data file = OH_H2p.kij calculation option = sqrt(T) scaling factor = 1.0 11. External Radiation: The 3K cosmic background is always included. Optionally, other components can be added A. Additional diluted blackbody fields. Each field is defined through its coefficient W and temperature T_bb. The list ends when W = 0. If the very first entry has W = 0, nothing is added. Example, a 500 K black body diluted to 1% of the Planck function: W = 0.01; T_bb = 500 K W = 0 ; T_bb = 500 K B. Radiation by single-temperature dust calculated according to eq. 1 of Lockett et al., 1999, ApJ, 511, 235. Enter the visual dust optical depth and its temperature. Enter as many components as you wish and end the list with tau = 0. Example, 100 K dust with tau(V) = 1: Dust tau at visual = 1.0 temperature = 100 K Dust tau at visual = 0. temperature = 100 K C. Radiation from a DUSTY output file. Enter the name of the file containing the desired SED. This spectral shape will be scaled to the bolometric flux of the input luminosity at the input distance. Example: Radiation from DUSTY file = Sample.stb Luminosity = 1.E4 Lo distance from source = 1.E15 cm You bypass this option with: Radiation from DUSTY file = none Luminosity = 1.E4 Lo Distance from source = 1.E15 cm On a UNIX system, make sure 'none' is entered in lower case. Luminosity and distance must be entered even though they are meaningless in this case NUMERICS Solution strategy -- choose one and comment out the other as in the example below: "increasing" -- start from optically thin solution for zero tau by solving the linear rate equations. Then find R such that all optical depths are smaller than the input tau_m. Solve for that based on the linear solution. Increase R until it exceeds the input R_m or the column exceeds the input N_col, whichever comes first "decreasing" -- start from thermal equilibrium level populations. Then find R such that all optical depths are larger than the input tau_m. Solve for that based on the thermal populations. Decrease R until it is smaller then the input R_m or the column is less then the input N_col, whichever comes first. Example: Solution strategy = increasing start with all optical depths less than tau_m = 1 stop when dimension exceeds R_m = 1.E15 cm or H2 column exceeds N_col = 1.E23 cm^-2 % Solution strategy = decreasing % start with all optical depths more than tau_m = 1.e3 % stop when dimension less than R_m = 1.E15 cm % or H2 column less then N_col = 1.E20 cm^-2 The following entries control the numerics. To achieve solution, the code may take small steps in increasing R and you place a limit on how small they can become through the maximum number of (logarithmic) dimension steps allowed per decade. Just to be sure the code does not disappear into an infinite loop, you also specify a limit on the global number of R steps allowed. Irrespective of the number of R steps, the number of outputs the code will produce per decade is what you specify in the input. Then enter the accuracy demanded in the solution of the non-linear level population equations. Finally enter the total number of iterations allowed in the Newton solution of the level equations. Example: Number of printings per decade = 5 Maximum number of dimension steps allowed per decade = 20 Total number of steps allowed to reach any limit = 200 Accuracy in NEWTON subroutine = 1.0e-4 Maximum number of iterations in Newton = 50 PRINT CONTROL PARAMETERS You control output by turning printing switches on and off. First, you can produce a printing of the level properties and the transitions. There are two master switches, one for the level the other for the transitions. Turning either of them on, you control their effect by selecting the info you want out. The following example will produce a listing of wavelength and collision rate for all the transitions and then will stop without solving anything, so you can keep a separate file of this molecular data: Printing of molecular data (on or off): Print energy level data = off statistical weights g_i = on energy in cm^{-1} = on energy in GHz = on energy in K = on quantum numbers = on Print transition data = off wavelength in micron = on energy in GHz = off energy in K = off Einstein coefficients A_ij = off collision rates C_ij = on Stop after printing molecular data = off Next you control the amount of output the program produces during the run. In the following example, all messages and preliminaries are off: Messages from NEWTON (off or on) = off Messages from step-size selector (off or on) = off Printing output for initial guess (off or on) = off If you wish detailed output as the run progresses turn the following flag on: information on each step (off or on)= on This will produce output on every printing step. In that case you can select among the output components with the next two input entries. To get level populations turn on the next flag: print detailed populations (off or on) = on You can output the top thermal emitting lines during each printing step by entering a number other than 0 in the following (note, there are no more then NxN transitions among N levels!): Number of cooling lines to print = 15 In addition, the code will output information on all inverted lines, if any exist. This output will include the optical depth, excitation temperature and inversion efficiency. Finally, you can select some specific transitions for special output that will be listed at the end of the run in summary form. These are also the transitions that will be sent to the PLOT file. Enter a number different from 0 (up to 10) for the number of transitions and then enter a pair of level identifier numbers for each transition. The following example selects a summary output for a couple of transitions, which happen to be strong masers when the run is for ortho H2O (15-14 is the 22GHz line in that case): Number of transitions for summary and plot= 2 i = 8 j = 7 i = 15 j = 14 The listing will be different at the R's where the transition is inverted and where it is thermal.