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A User's Guide to the Tübingen NLTE Model

1. LIST OF ALL RBB ION This option creates a table of all line transitions of the selected ion under consideration of a possible LINEFORMATION option with its interval restriction END OPTIONS This option finishes the file OPTIONEN and is necessary if one of the other options has been given The program ATOMS2 creates a large informative output which includes generally the atomic data file as created by ATOMS2 informations about wavelengths of levels thresholds line tran sitions and some statistics Excited levels are marked in the output with xx all transitions which were inserted following the AUTO FILL options are marked with AF All parameters which are valid for the created atomic data file ATOMS Sect 1 are summa rized in a table at the end of the output Under unix a grep para output filenamej extracts them from the output file 2 6 TIRO The T bingen Iron Group Opacity TIRO service creates atomic data files and cross section data for radiative bound bound and bound free transitions of iron group elements calcium scandium titanium vanadium chromium manganese iron cobalt and nickel It is based on the program IrOnlc that was developed at T bingen TIRO enables the VO user to consider iron group elements in model atmosphere calculations easily in various ways and without spending own Creation of Atomic Data Files 13 calculation time for the creation of
2. 4025 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP ATOMS2 SETF2 LTE2 PRO2 LINE1 LINE1 PROF and some Auxiliaries T Rauch L Lobling K Werner et al A User s Guide to the Tubingen NLTE Model Atmosphere Package TMAP Institute for Astronomy and Astrophysics Department Astronomy Kepler Center for Astro and Particle Physics Eberhard Karls University Sand 1 D 72076 T bingen Germany E mail astro tmap listserv uni tuebingen de WWW http astro uni tuebingen de TMAP August 25 2015 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Contents O Overview 1 Creation of the Executables 2 Creation of Atomic Data Files 21 Level Names TMAP Code sur e404 eae risas S E RR UR a 2 2 List of Keywords for the Atomic Data File 2 3 Description of the Keywords 226 02 a a aha an a wii na Oe ee aha 24 le Se es eR de da ae a AR de Bee A 2 4 1 Model calculations PRO2 u 2 0 5 E na Sur 84 Bess an 242 Lime formation calculations PRO2 41 2 uuo Rr 9 9 a 44 24 24 3 Spectra calculations LINELPROF 44 454 84 05 20 s 25 ATOMS petega xb owe ob sor a ee a 40x 9 836b 09 8 20 TIRO A EA a ia E Se Dt Auxiliary PTOS daa ci A A a 2 7 1 FORMEL4 wer wi eros ea En 202 LEVEL gorte eo ia a nde ec ede oe Se egi ode RU Zao MULTIPLET gig parra ac A A her Ln EO ES 2 SEATON nda aa Ok Eua a ln ina ea Dial TAGE ra G
3. C Solar Abundances Table 4 TMAP uses the following values as solar abundances Asplund et al 2009 Maiorca et al 2014 Grevesse et al 2015 Scott et al 2015b a Atom from meteorites only Atomic Number CONDO K WHER FE QR C2 wm wm ww C20 C2 C2 C2 Q2 b2 b2 NNN h2 hb2 h2 h2 h2 BHF HPF RFP RFP E 2n 0 d oco qQocU corr c c OO SI OO PWOPDHOVO oco IJc cusim UNE CO CO Atomic Weight 1 0079 4 0026 6 9410 9 0122 10 8110 12 0107 14 0067 15 9994 18 9984 20 1797 22 9898 24 3050 26 9815 28 0855 30 9738 32 0650 35 4530 39 9480 39 0983 40 0780 44 9559 47 8670 50 9415 51 9961 54 9380 55 8450 58 9332 58 6934 63 5460 65 4090 69 7230 12 6400 74 9216 78 9600 79 9040 83 7960 85 4678 87 6200 88 9059 91 2240 92 9064 95 9400 log x 12 00 10 93 1 05 1 38 2 70 8 43 7 83 8 69 4 40 7 93 6 21 7 59 6 43 Tol 5 41 1 12 5 50 6 40 5 04 6 32 3 16 4 93 3 89 5 62 5 42 1 47 4 93 6 20 4 18 4 56 3 02 3 63 2 30 3 34 2 54 3 25 2 47 2 83 2 41 2 59 1 47 1 88 n X n H by number 1 000 x 10 8 511x10 9 1125310 9 2 399x 10 11 5 012x 10 10 2 692x10 94 6 761x10 95 4 898x 10 94 2 512x10 98 8 511x10 95 1 622x10 96 3 890 x 10705 2 692 x 10706 3 236 x 10705 2 570x10707 1 318x 107 3 162x 10707 2 512x 1070 1 096 x 10 97 2 089 x 10706 1 445 x 10 99 8 511x10 98 7 762x10 99 4 169 x 10 97 2 630x10 97 2 951x10 95 8 511x10 98 1 585x10 06 1 514x10708 3 631x1070
4. For both cases the line type of the underlaying atomic data can be selected They are taken from Kurucz line lists and can be chosen between lines with measured wavelengths POS or measured and calculated wavelengths in addition LIN After submitting the data the given parameters are stored in a request file TIRO checks regularly if requests are waiting and processes them one after the other The user is informed via email when the handling of the data starts The resulting files are stored in a compressed tar archive that is accessible via a wget command The user is informed via email about its location The files for bound bound transitions contain a table with frequencies in the first column cross sections in the second calculated for electron density 0 and in the third column calculated for electron density 101 cm The corresponding files for bound free transitions include a table with frequencies in the first and cross sections in the second column 2 7 Auxiliary Programs Some programs are currently available which help to design model atoms etc All these programs work interactive and are more or less self explaining 2 7 1 FORMEL4 The programs PRO2 and LINE1 can consider besides pure Doppler line broadening the quadratic formula 3 and the linear formula 4 this gives the name of the program Stark effect for the line broadening Both formulas need some input data which has to be incl
5. INTERVALL 1000 7000 ION NON The use of IRONIC data for iron group elements requires to use the same frequency grid for the calculation of the synthetic spectrum Thus PRINT ENTSTEHUNGSTIEFEN DER LINIEN UND KANTEN LINE1_PROF prints the formation depths of line cores and ionization edges PLOT IONIZATION FRACTIONS LINE1_PROF writes ionizations fractions of all ionic species in ATOMS to the file PLION that may be saved to e g lt name gt Using In sf lt name gt ion2devide dat home rauch bin ion2devide Linux_X86 yields a series of ionfrac lt II gt II is the ionic species These files can be plotted together in one plot with the template home rauch tools IonFrac wr that has to be edited properly for the individual star SAVE FGRID_2 allows to save the frequency grid created by LINE1_PROF is saved into the files FGRID_2 binary and FGRID_3 ASCII FGRID_3 can be used by IRONIC then In order to check the respective ATOMS file SETF2 has to be used to create a start input FGRID file LINE1_PROF 49 LINE1_PROF considers the same input files like SETF2 CONTS MAN F_BASE and POS_LIST A difference is the content of F_BASE where Amin Amar AA have to be given There may be entries for different intervals LINE1_PROF uses an external frequency grid if FGRID_2 FROM INPUT is activated DYNAMIC DISTA Amin Amaz DYNFACTOR In general spectral lines are more narrow in the X ray or UV compared
6. O oldabund awk print 2 NEold grep NE oldabund awk print 2 P SIold grep SI oldabund awk print 2 FEold grep FE oldabund awk print 2 P How to calculate a NLTE model with TMAP 83 NIold grep NI oldabund awk print 2 new abundances newabund moddir abund_new Hnew grep H newabund awk print 2 HEnew grep HE newabund awk print 2 Cnew grep C newabund awk print 2 P Nnew grep N newabund awk print 2 P Onew grep O newabund awk print 2 NEnew grep NE newabund awk print 2 SInew grep SI newabund awk print 2 FEnew grep FE newabund awk print 2 P NInew grep NI newabund awk print 2 P In the input files of e g PRO2 respective cards have to use the XXnew variables XX is the element CHANGE ABUNDANCE H Hnew MASS FRACTION CHANGE ABUNDANCE HE HEnew MASS FRACTION CHANGE ABUNDANCE C Cnew MASS FRACTION N 0 CHANGE ABUNDANCE Nnew MASS FRACTION CHANGE ABUNDANCE Onew MASS FRACTION CHANGE ABUNDANCE NE NEnew MASS FRACTION CHANGE ABUNDANCE SI SInew MASS FRACTION CHANGE ABUNDANCE FE FEnew MASS FRACTION CHAN
7. S amp Bommier V 1991a A amp AS 9 591 Dimitrijevic M S Sahal Brechot S amp Bommier V 1991b A amp AS 9 581 Grevesse N Scott P Asplund M amp Sauval A J 2015 A amp A 73 A27 Griem H R 1974 Spectral line broadening by plasmas Jahn D Rauch T Reiff E et al 2007 A amp A 62 281 Karzas W J amp Latter R 1961 ApJS 167 Lemke M 1997 A amp AS 22 285 Maiorca E Uitenbroek H Uttenthaler S et al 2014 ApJ 88 149 Mihalas D 1972 ApJ 77 115 Rauch T amp Deetjen J L 2003 in Astronomical Society of the Pacific Conference Series Vol 288 Stellar Atmosphere Modeling ed I Hubeny D Mihalas amp K Werner 103 Savitzky A amp Golay M J E 1964 Analytical Chemistry 36 1627 Sch ning T 1993 A amp A 67 300 Sch ning T 1995 A amp AS 13 579 Sch ning T amp Butler K 1989a A amp AS 9 153 Sch ning T amp Butler K 1989b A amp AS 8 51 Scott P Asplund M Grevesse N Bergemann M amp Sauval A J 2015a A amp A 73 A26 Scott P Grevesse N Asplund M et al 2015b A amp A 73 A25 Sutherland R S 1998 MNRAS 00 321 86 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Tremblay P E amp Bergeron P 2009 ApJ 96 1755 Unsold A 1968 Physik der Sternatmosph ren Mit besonderer Ber cksichtigung der Sonne Berlin New York Springer Verlag Werner K 1986 A amp A 61 177 Wer
8. bin sh set x HOME jobstart do not edit the beginning of this file TORERO TTT HEA ETE own job following FORERO TEETER HAE TE TEE echo 90 gt MODIN_ND cp lt formatted input model gt MODIN home rauch bimod extend sys lt lt eos 8 00 eos mv MODOUT lt binary output model gt do not edit the rest of this file THEHBUUHBDEHPEHHEHHBBIE set x HOME jobend TMPDIR 6 1 3 Interpolate Models for a New Depth Point Number NDSCALE NDSCALE can interpolate a model to a new number of depth points The may be necessary in case that the log m interval of a model was adjusted Sect 6 1 Copy a binary TMAP model to the file MODIN and start e g home rauch bimod nd scale Linux_X86 NDSCALE asks for the old and new number of depth points and writes the interpolated model to the file MODOUT The following displays an example batch job file for NDSCALE bin sh set x HOME jobstart do not edit the beginning of this file HHHHHHHHHHHHHHHHHHHHHHHH own job following TORIO TEETH A ETE cp lt binary input model gt MODIN home rauch bimod ndscale sys lt lt eos 75 90 eos mv MODOUT lt binary output model gt do not edit the rest of this file TET TET HHH PEE HE set x HOME jobend TMPDIR 38 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 7 Interpolate between Existing Models INTER 7 1 Interpolate between Existing Models home rauch bim
9. 09 0 S Y Z A 4 3 Koester Formula for He 1 A amp A In go ao a ln A a5 In A A 3 input parameters do 41 d2 A 4 4 Opacity Project Photoionization Cross Sections Seaton tails See Sect A 4 10 A 4 5 Karzas amp Latter data with Gaunt Factor Tables taken from Karzas amp Latter 1961 are used to calculate the photoionization cross sections 3 input parameters Zef n principal quantum number azimuthal quantum number A 4 10 Opacity Project Photoionization Cross Sections The Opacity Project data for a level of the ion XXXX are read from the file OP RBF XXXX Sect 8 1 The programs recognize an A10 label at the begin of the data set which represents the level name in TMAP code Sect 2 1 For the actual frequency grid FGRID Sect 3 the cross sections are interpolated or extrapolated including possible resonances etc Is formula 4 requested and a cross section of 0 0 inserted a mean cross section at the threshold energy of the Opacity Project data is calculated and used as threshold cross section no input parameter 64 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A 4 12 DETAIL Fit Formula 2 Vin V Ino 5 ai In i 0 v 6 input parameters do Q5 A 5 RFF Transitions None of the RFF formulae needs an input parameter A 5 1 Including Contributions of LTE Levels Uns ld Z2 Tr v T 3 694 108 et min kT____ v3 T Vmin min v Vir
10. Atmosphere Package TMAP were developed on CRAY computers They can generally be installed on all other computers For the substitution of CRAY specific parts or system library routines there exists a collection of own subroutines For the use of a new atomic data or frequency grid files it might be necessary to change the PARAMETER statements for the DIMENSION of various arrays Subsequently the program has to be compiled and loaded Shell scripts for compilation are available Please contact rauch astro uni tuebingen de for further instructions All PARAMETER statements are collected in input files which are named PARAND PARA PARA1 and PARA3 All PARAMETER signed with are used by PRO2 only all with by LINE1 only the rest is valid for both programs PARANA NA quadrature points for angular integration default 3 PRO2 allows NA e 3 5 LINE1_PROF allows NA 3 4 5 6 7 8 9 10 12 16 20 24 32 PARAND ND depth points default 90 An investigation on the necessary number of depth points has shown that the computational time decreases of course for ND 90 but the resulting line profiles are more narrow and the line cores are less deep The line profiles converge at ND 2 70 An 1 error is reached at ND gt 90 For much higher ND the computational time increases tremendously and the models a less numerical stable PARA LTEMAX LTE levels NATOMAX elements NFMAX frequency points NIONMAX ionization
11. for all automatically inserted continuum frequency points to fill up to the EUV limit of 2 99792458 1017 Hz e BASE for all inserted and not eliminated see above continuum frequency points optionally requested in F_BASE e MANUELL for all inserted continuum frequency points optionally requested in CONTS MAN e HE26 uu for all edge and line transition frequency points lower level in the TMAP code Sect 2 1 here He rt level with principal quantum number 6 field 5 e HE27 for all edge and line transition frequency points upper level in the TMAP code LILILILILILI Sect 2 1 here He rt level with principal quantum number 7 field 6 For all line transition points the position of the point in the line is indicated e CONT RED e CENTER e CONT BLUE For every frequency point a quadrature weight is calculated corresponding to the weight and the line parameter The following points are considered e integration intervals do not include a complete edge i e EDGE RED and EDGE BLUE of the same threshold e the quadrature weights are calculated following the trapezoidal law for v lt vw weight parameter see above and following the Simpson law for rw v The Simpson law is necessary because the flux is exponentially decreasing for y gt vw and the trapezoid law is not sufficient In principle all weights can be calculated following the Simpson law SE
12. inserted in the atomic data file ATOMS Sect 2 2 2 A 1 CBB Transitions A 1 1 van Regemorter Formula Allowed Dipole Transitions 2 Ci Tao TMe 2 k ne V T DL m LE 0 uo hvg kT Eo hvj T uo max g 0 276e E uo g 0 2 for n Zn else 0 7 Ey is the ionization energy of the hydrogen ground state 8k Tao 5 465 10 H TMe 2 input parameters fij 9 A 1 2 Forbidden Transitions C 8 631 10 6 wQ j nee i gvT NFIT Q 5 ai q i 1 NFIT 1 input parameters NFIT ai ANFIT for the effective collision strength Is only one parameter supplied explicitly 1 then Q 1 is set A 1 3 Hydrogen following Mihalas 8k Tm E mo VT Ci Arao 2 uo fi E uo 0 148u E5 u0 Y Vij y B 2 a 68 An for An gt 1 and y 1 else B 3 1 2 n a 1 8 0 4 n no input parameter A 1 4 Heu following Mihalas amp Stone Sk TMe Ey hv 2 Cu rao uo fije e In 2 Es uo Y n 41 y min n 1 1 min An n An no input parameter Formula Collection 59 A 1 5 Her Allowed Transitions from its Ground State following Mihalas amp Stone 8k Eg Y Ci AT ao NeV Tf uo E uo TMe hw linput parameter fi A 1 6 Her Allowed Transitions but not from its Ground State following Mihalas amp Stone 8k En V u Cy ATA NeV DT fi Uo Ei eu TMe hv U1 uU Uo 0 2 1 input par
13. lt eos T EFF TIM LOG G GGM DAMP 0 1 TTMAX 100 EPS 1 0E 6 TAU SCALE 86 90 2 PRINT INTEGRATED EDDINGTON FLUX ITERATION LAST PRINT TEMPERATURE CORRECTIONS ITERATION LAST ALL DEPTHS PRINT MODEL ATOMS OVERVIEW ABUNDANCE H HN ABUNDANCE HE HEN eos cp aa ATOMS cp ff FGRID BI code sys lt LDATEN if test s MODELL then cp MODELL MO chmod 600 MO fi fi do not edit the rest of this file How to calculate a NLTE model with TMAP TIRE TEP set x HOME jobend TMPDIR TT 78 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D 8 5 PRO2 e Edit the H He_nlte job in emacs Adjust the temperature log gand the abundances of the used elements as before and check if the used files have the right name The Input files are H4 He atoms2 H He_100000 setf2 and the model from LTE2 is the input model e Start the job an example is given in table below with nice 19 H He_nlte job gt H He_nlte out e The output model is written to home lt user gt model H He bin sh set x HOME jobstart do not edit the beginning of this file nnn ZZ own job following 44 Tg common paths GRP home rauch group ss user part 7 directories etc code pro2 mod H He type jobdir HOME jobs pro2 f1xdir HOME jobs pro2 IONFRAC HE model parameters fn
14. mod GGM 7 00 TIM 0140000 H 0 900 HE 0 100 name TIM _ GGM aa AA fn type atoms2 ff FF fn _ TIM type setf2 How to calculate a NLTE model with TMAP 79 if test s ff then home rauch prep_conts_man sys gt noCONTS MAN lt lt eos 5 0 2000 1 0 1 eos echo TIM gt SDATEN echo PRINT CHECK gt gt SDATEN echo 1 30E 16 gt gt SDATEN echo 1 gt gt SDATEN echo 4 10 gt gt SDATEN cp aa ATOMS BI setf2 sys lt SDATEN 2 gt dev null 1 gt amp 1 if test f FGRID then cp FGRID ff chmod 600 S ff echo new frequency grid created ls 1 ff else echo no new frequency grid created break fi rm fi name name _ H _ HE MISS HOME models mod 0100000 _7 00_0 900_0 100_pro2 MO HOME models mod name pro2 if test s MI then if test s MO then MISS MO fi cat gt DATEN lt lt eos COMMENT test 4 TMAP CHANGE ABUNDANCE H H MASS FRACTION CHANGE ABUNDANCE HE HE MASS FRACTION CHANGE LOGG GGM CHANGE EFFECTIVE TEMPERATURE TT LAMBDA 4 OCCUPATION PROBABILITY FORMALISM FOR H1 OCCUPATION PROBABILITY FORMALISM FOR HE1 OCCUPATION PROBABILITY FORMALISM FOR HE2 80 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP OPACITY PROJECT RBF DATA START AT EDGE OPACITY PROJECT RBF DATA MISSING HYDROGENIC STEP UP F VALUES MODEL START H
15. stages NLATOMS non LTE levels of one element NLMAX non LTE levels total of all elements PARA1 NRBBMAX transitions radiative bound bound NRBFMAX transitions radiative bound free NRFFMAX transitions radiative free free NRLLMAX transitions rbb for sample cross sections within one level band complex ions Sect 2 2 NRLUMAX transitions rbb for sample cross sections Sect 2 2 NCBBMAX transitions collisional bound bound only electron collisions Creation of the Executables 5 NCBFMAX transitions collisional bound free only electron collisions NCBXMAX transitions collisional bound extra only electron collisions as well as the same PARAMETER with a D instead of X at the end NXXXMAD maximum number of input values in the atomic data file for the transition XXX e g NCBBMAD Exception NRBBMAD either like above or if larger maximum number of frequency points in a line transition NRBFMAW DIMENSION of the array SIGBF NRBLMAX blends of a line for which a detailed line profile is calculated NRLFMAX lines to select in a single job for the calculation of their profile PARA3 NRDIMAX transitions radiative dielectronic bound free NRDIMAD analogous PARA1 NSIG DIMENSION of the array SIGBF value NRBFMAW NSIG is given by SETF2 and LINE1_PROF In the case that the PARAMETER limit is exceeded e g the number of NLTE levels in the atomic data file is higher than NLMAX the programs stop with an
16. temperature correction can be carried out until the temperature structure is stable Some option can be given to control the temperature correction method Sect 4 3 2 4 3 2 The Options With some directives in the input file DATEN LTE2 can be controlled Especially the photo spheric parameters line effective temperature Tig surface gravity g and photospheric abundances which are necessary in any case are selected The input file DATEN for the program LTE2 has the following structure Sect 5 4 DATEN T EFF T LOG G g ABUNDANCE xx hh T has to be given in Kelvin g in cgs xx element in TMAP code Sect 2 1 hh abundance fraction by particle numbers Please note that qu Mm hh 1 LTE2 will check this In the case that gt 1 LTE2 will adopt the given abundances unchanged if not LTE2 will re normalize the given values Please check STDOUT for respective information 22 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP TAU SCALE MINIMUM 8 0 This option sets the limit log 71 of the outer atmosphere This limit can be varied under the premise that the atmosphere has to be optically thin over the complete frequency grid at least at the first depth point This is one of the basic assumptions of PRO2 and LINE1 Attention the requested value 15 only a start value which can be different from that of the finally calculated LTE model TAU SCALE MAXIMUM _2 6 This option sets t
17. the STOP file Sect 5 or with the procedure rauch tools kill all_linux_no_ask Be aware that this command kills all your jobs not only TMAP jobs on all linux machines but at your local machine Auxiliaries 9l 11 Auxiliaries Three plot programs PROF1 and PLXY are available on the computers at T bingen They are designed for the visualization of plot data files from the T bingen NLTE Model Atmosphere Package TMAP The program PLXY is able to plot any x y table The additional program WR PLOT is a plot program which is not exclusively based on the T bingen NLTE Model Atmosphere Package TMAP The two auxiliary programs RTFZ and PLADD are designed to interactively rectify and co add spectra The programs are to be used interactively and allow an individual design of the plot Interactive labeling etc is possible All interactively inserted label can be saved in files program AUX and can be re loaded if the program is invoked again later The plot files are created in PostScript format EPSF is optional for a later inclusion in TEX documents The plot programs support color PROFI uses the pen number as follows 1 black 2 red 3 blue 4 green 5 yellow 6 cyan 7 magenta A more detailed description follows in the next sections At T bingen the programs are found at home rauch tools pladd home rauch tools plxy home rauch tools profl home rauch tools rtfz All programs are self explaining
18. 00 A to 7000 A AA 0 1 A then a DISTA 2 0 01 4 0 02 6 0 03 8 0 05 9 100 00 10 0 01 is sufficient narrow points only until the F_BASE resolution is reached then just an end point of the line and a CONT BLUE RED point Sect 3 In addition a dynamical use of DISTA in LINE1_PROF is helpful and is described in Sect 9 FGRID frequency grid Sect 3 not necessary in the case of line profile calculations see above ION contains the code for the selected ion line profile calculations It differs from the TMAP code Sect 2 1 the element is given in CHARACTER 2 format flushed to the left and the ionization stage is indicated in the third and fourth column Examples HE2 02 CA10 SETF2 creates this file for a given atomic data file Sect 3 LINIEN this file contains information about the range which has to be considered in the calcu lation of the line profiles and the selected line to calculate LINE1 41 BLENDRANGE 40 0 LILILILILI This card is of special importance and has to be the first record in LINIEN e LINE searches in the interval Ao ABlendranges Ao ABlendrange for line frequency points Sect 3 of other line transitions All line transitions with points between CONT RED and CONT BLUE of the selected line see below are regarded as a blend and included in the calcu lation in detail All other line transitions in the input file ATOMS see above are disregarded in the creation of the int
19. 4 4 Opacity Project Photoionization Cross Sections Seaton tails A 4 5 Karzas amp Latter data with Gaunt Factor A 4 10 Opacity Project Photoionization Cross Sections A 4 12 DETAIL Fit Formula A 5 REF Transitions A 5 1 Including Contributions of LTE Levels Uns ld A 5 2 Including Contributions of LTE Levels with Gaunt Factors A53 With Gaunt Factors no LIE Contributions 41239 escasa B Fundamental Constants C Solar Abundances D How to calculate a NLTE model with TMAP D 1 Basics D 2 Creation of atomic data files with ATOMS2 D 3 Creation of a frequency grid with SETF2 D 4 Adaption of the Parameter files ee D 5 Calculation of a start model with LTES eu 24 8 ai eh ee wR D 6 Calculation of a NLTE model with PRO sra a eels D 7 Strategy to calculate a NLTE model with PRO2 lt D 8 Example A model with hydrogen and helium D 8 1 ATOMS2 244 4 4 D 823 SETEB pa 2 2244 D 8 3 Parameter files DBA LTES rraza D 8 5 PROS soko 444 D 9 Naming the TMAP models E Colors F References IH 62 62 62 63 63 63 63 63 63 63 64 64 64 64 64 65 66 68 68 68 68 69 69 69 70 12 12 13 74 75 78 82 84 85 IV A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP List of Tables
20. 8 1 047 x10 99 4 266 x 10 09 1 995x10 19 2 188x10 9 3 467 x10 19 1 778x10 99 2 951x10 19 6 761x10 19 1 622x10 19 3 890x10 19 2 951x10 H 7 586x10 H n X n He by number 1 175x10 9 1 000 10799 1 318x 10 9 2818 10 5 888x 10 99 3 162x 10 9 7 943x 10 94 5 754x 10 99 2 951x 10 97 1 000x 10 9 1 905 x 107 4 571x10 9 3 162x 10 5 3 802x 10704 3 020x 1070 1 549x10 94 3 7153 10 95 2 951x 10 95 1 288 x10706 2 4553 107 1 698 x 10708 1 000x 10 96 9 120x 10 95 4 898 x 10706 3 090 x 1006 3 467x 10704 1 000x 10 96 1 862x10 95 1 778x 1007 4 266 x 10 97 1 230 x 10 79 5 012 10 95 2 344x 10 99 2 570x 10708 4 074x 10 99 2 089x 10708 3 407 x 10 99 7 943x 10 99 1 9055 10 99 4571x10 99 3 407x 10 79 8 913x10 19 mass fraction 7 375x1070 2 493 x 10 9 5 698x 1054 1 582 10710 3 964x 10 09 2 365x 10 93 6 929x 10 94 5 733x10 93 3 492x 10 07 1 257x 1008 2 728x 6 918x 10 94 5 314x 10 95 6 650x 10 94 5 825x 10706 3 093x10 94 8 203x 10 96 7 342x10 95 3 137x 10 96 6 127x 10 95 4 754x 10 98 2 981x 10 96 2 893x10 07 1 586x 10 95 T 0b 7x 10 95 1 206x 10703 3 670x 10 96 6 806 x 10 95 7 037x10 97 1 738x 10706 5 342x 10708 2267210 1 094x 10708 1 264x 10707 2 027x 10708 1 090x 10 97 1 846 x 10708 4 334x 10 98 1 055x 10708 2 597x 10708 2 006 x 10 99 5 325x 10 09 Solar Abundances Atom X Rh Pd Ag Cd In Sn Sb Te Cs Ba La Pr Nd Sm Pt Hg Tl Ph Bi Th
21. A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Data flow Atomic Data amp Theory ATOMS2 ATOMS2 T Do m PROF1 WRPLOT Observations Overview 3 0 Overview In the following the T bingen NLTE Model Atmosphere Package TMAP is described which is based on the approximated lambda iteration ALI method It consists mainly out of a LTE model atmosphere program LTE2 for the calculation of start models a NLTE program PRO2 a NLTE line formation program LINE1 and a plot program PROF1 To start the programs you need the following 1 2 an executable program of the most recent program version Details can be found in Sect 1 a model atom file with all model atoms and atomic data This file is created by the user and partly checked and automatically filled up by the program ATOMS2 Sect 2 a frequency grid file which contains the frequency points the respective quadrature weights and informations about every frequency point It is created by the program SETF2 Details can be found in Section 3 a start model It can be either a LTE start model or a model which has been created by PRO2 or LINE1 Further informations are summarized in Section 4 commands for the program control Sect 5 4 and print commands Sect 5 5 4 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 1 Creation of the Executables All programs of the T bingen NLTE Model
22. ACITY PROJECT RBF DATA ONLY EDGE VALUE see above a mean value of the OP data at the threshold energy is calculated then the absorption cross sections are calculated using the Seaton formula in hydrogenic approximation OPACITY PROJECT RBF DATA MISSING HYDROGENIC see above for those levels which are not found in the OP data set hydrogen like threshold cross sections are calculated Then the Seaton formula is used OPACITY PROJECT RBF DATA HYDROGENIC NLTE Models PRO2 31 see above all bound free transitions which are found in the atomic data file ATOMS and request explicitly the use of OP data are calculated with hydrogen like threshold cross sections and the Seaton formula OUTPUT MODEL FORMATTED RADIATIVE EQUILIBRIUM DIFFERENTIAL INTEGRAL FORM The radiative equilibrium is calculated using a combination of the differential and the integral method READ NEW TEMPERATURE STRUCTURE A temperature structure is read in from file TEMPERATURE IN This temperature may be interpolated from other models in order to speed up the calculation of in between models TEMPERATURE IN is an ASCII table with log m and T however the log m values are ignored REDUCE LOG CVEC x This options scales the inhomogeneity vector of the linearized equations This is useful to overcome numerical instabilities and to avoid too large corrections in the beginning of the iterations This card has to be inactivated to get a fina
23. Ae who eR al The line parameter and default frequency point arrangements for line transitions 16 Selection of plot symbols available for the use in PLXY 56 Fundamental constants used in TMAP 65 TMAP uses the following values as solar abundances Asplund et al 2009 Maiorca et al 2014 Grevesse et al 2015 Scott et al 2015b 9 66 Steps to calculate a NLTE model with PROS 244 868 hee oro 71 Example for the atoms2 job in the case of LTE and NLTE model atmosphere cal CURIOUS 24 ch ern tee eee ee eae Eee 77077 EE SRE HESS 12 Example for a setf2 job in the case of LTE and NLTE model atmosphere calculations 73 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 1 All Users of the Tubingen NLTE Model Atmosphere Package are reminded to be careful at the creation and or modification of the atomic data files Although ATOMS2 SETF2 PRO2 and LINE1 check these files partly for consistency small errors here can have large influence on the resulting model atmospheres All programs terminate in the case of fatal errors but can give only warnings when the input is ambiguous T he neglection of these warnings may be fatal For PRO2 and LINE1 output options are existing to print the model atoms and atomic data read by these programs They should be used for checks not only at the first time when the program is running with new or modified data 2
24. CIV With this option all C rv line transitions in the atomic data file ATOMS are calculated with the stark broadening tables by Dimitrij vic if found there If the Dimitrij vic tables shall be used only for selected lines in ATOMS formula 5 instead of formula 3 or 4 has to be requested Sect 3 The tables Sect 8 1 have to be loaded in any case USE DIMITRIJEVIC BROADENING TABLES FOR C V like USE DIMITRIJEVIC BROADENING TABLES FOR CIV USE DIMITRIJEVIC BROADENING TABLES FOR HE I like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR N V like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR 0 IV like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR 0 V like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR 0 VI like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR SI IV like USE DIMITRIJEVIC BROADENING TABLES FOR C IV USE DIMITRIJEVIC BROADENING TABLES FOR S VI like USE DIMITRIJEVIC BROADENING TABLES FOR C IV PRINT ATOMIC DATA FILE ATOMS_2 print the internally created atomic data file see above for the line profile calculations PRINT EQUIVALENT WIDTH A small table with the equivalent widths of all selected lines is printed to STDOUT Attention For the calculation of the equivalent widths of th
25. ETATL Formula No 25 8 input parameters A 1 26 Q Fit in log T General Case equal to DETAIL Formula No 26 NFIT X Y a logT T IT NFIT 2 input parameters T1 NFIT a4 anr r Formula Collection 61 A 2 CBF Transitions A 2 1 Hydrogen n 1 10 following Mihalas Cik rao k We Ta T T TMe own fit formulae for I because Mihalas is restricted in temperature no input parameter A 2 2 Hen n 1 10 following Mihalas like CBF1 own fit formulae for I because Mihalas is restricted in temperature no input parameter A 23 Her n X 15 8k TMe 0 728uo 2 0 u Cik rag NV Too oF us ro la 0 189uge My U1 Ua Up hiin kT ui uo 0 27 U2 ug 1 43 1 input parameter oo in tabular form by Mihalas amp Stone A 2 4 Seaton Formula 1 Cy 1 55 10 geon TRE hus g 1 102023 for Z 1 2 gt 3 Z charge of the ion oo threshold photoionization cross section 2 input parameters 00 g In case that formula 4 is requested and a cross section of 0 0 inserted a mean cross section at the threshold energy of the Opacity Project data is calculated and used as threshold cross section Sect A 4 A 2 5 Lotz Formula 2 8k VT Eg a Quo Cix Tao Ne TP Uo E uo E u TMe Eo ui 3 input parameters P a c uj Ug C A 2 6 Mg 1 3s Mg im 2p e following Mihalas 1972 neVT augEi uo b uo us Es ui e 0 u
26. GE ABUNDANCE NI NInew MASS FRACTION 84 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP E Colors Color Index RG B Color Monochrome 0 1 00 1 00 1 00 1 0 00 0 00 0 00 2 1 00 0 00 0 00 3 0 00 1 00 0 00 4 0 00 0 00 1 00 5 0 00 1 00 1 00 6 1 00 0 00 1 00 7 1 00 1 00 0 00 8 1 00 0 50 0 00 9 0 50 1 00 0 00 0 0 00 1 00 0 50 1 0 00 0 50 1 00 2 0 50 0 00 1 00 3 1 00 0 00 0 50 4 0 33 0 33 0 33 15 0 67 0 67 0 67 Figure 1 PLXY default colors indices 0 15 References 85 F References Asplund M Grevesse N Sauval A J amp Scott P 2009 ARA amp A 47 481 Barnard A J Cooper J amp Shamey L J 1969 A amp A 28 Cowley C R 1971 The Observatory 91 139 Dimitrijevic M S amp Sahal Brechot S 1990 A amp AS 2 519 Dimitrijevic M S amp Sahal Brechot S 1992a A amp AS 3 359 Dimitrijevic M S amp Sahal Brechot S 1992b A amp AS 5 109 Dimitrijevic M S amp Sahal Brechot S 1992c A amp AS 6 613 Dimitrijevic M S amp Sahal Brechot S 1993 A amp AS 00 91 Dimitrijevic M S amp Sahal Brechot S 1995 A amp AS 09 551 N MM Uu DR CD Dimitrijevic M S amp Sahal Brechot S 1996 A amp AS 15 351 Dimitrijevic M S Sahal Brechot
27. GRID FF H He_ TT type setf2 else echo fi set x HOME jobend TMPDIR HOME jobstart s FGRID no FGRID created e Run both jobs and create output files for them The files H4 He 100000 1te setf2 and are written to home lt user gt fgrids 74 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D 8 3 Parameter files e Extract the parameters from the H He_atoms out file with grep para H He_atoms out and from the output file H4 He setf2 out of the frequency grid If you want to save the parameters you can write them in a file with grep para H He atoms out gt object out e the parameter files for PRO2 can be found in home user parameter pro2 e copy the existing parameter files to PARA_H He INC PARA1_H He INC PARA3_H He INC and adjust them by using the parameters from H He_atoms out and H He setf2 out NOTICE the values in the parameter files should be never 0 e compile with ssh ait320 load pro2 H He P4 x64 use P4 for 32bit machines x64 for 64bit machines The program home lt user gt bimod pro2_H He Linux_ P4 x64 is created How to calculate a NLTE model with TMAP 75 D 8 4 LTE2 e Edit H He_1te job with emacs Set T 100000K logg 7 and H 0 9 and He 0 1 The input files are H He_lte atoms2 and H He_100000_lte setf2 e Start the job an example is given below and write its output into a file nice 19 H He_lte job gt H He_lte out The Ite model is written to hom
28. In the following sections some general comment on the programs are summarized For details especially for one purpose derivates of the programs please contact the authors 11 1 PLADD The program PLADD may be used to interactively co add spectra with individual weights Parts of the spectra which are obviously corrupted e g by cosmics can be eliminated The program expects input spectra data file with the convention jnamej ii where ii is a two digit integer default is 01 In the case of echelle spectra ii is the order number Example file names to be co added e longslit starl_datel 01 star1_date2 01 star1_date3 01 star1_date4 01 52 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP starl_date5 01 e echelle starl_datel 44 starl_datel 45 star1_date1 46 star1_date1 47 star1_datel 48 starl_datel 49 starl_date2 44 starl_date2 45 starl_date2 46 star1_date2 47 star1_date2 48 starl_date2 49 With PLADD normalized as well as absolute flux spectra can be co added The absolute fluxes can be pre normalized with a constant value for the processing A Savitzky Golay filter may be invoked to clarify in case of heavy over sampling 11 2 PROF1 For the direct evaluation and visualization of line profile plot data files which are created by LINE1 or are available in WRPLOT format the program PROFT is available PROF1 can plot the data as well as process them in order to compare them to observations etc A
29. LOG NUE PLOT EMERGENT FLUX FNUE NUE PLOT EMERGENT FLUX LOG FLAM LOG LAM PLOT EMERGENT FLUX FLAM LAM PLOT EMERGENT FLUX FLAM LAM INTERVAL LAMBDAMIN LAMBDAMAX PLOT LIMIT TAU 1 ITERATION EACH With this option a plot file PLLP is created which contains the geometrical depth logarithmical of the limit r 1 for the complete frequency grid It can be plotted with the program PLXY LINE1 Sect 11 PLOT LINES PLOT TEMPERATURE STRATIFICATION ITERATION LAST PLOT TEMPERATURE STRATIFICATION ITERATION EACH 47 48 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 9 Synthetic Spectra LINE1_PROF The program LINE1 PROF calculates based on a suitable start model Sect 3 a syn thetic spectrum and or line profiles of selected lines under consideration of the most recent line broadening theories The input and output options are the same like those of LINE1 Sect 8 The program LINE1_PROF creates besides STDOUT the following plot data files in accor dance with the options given PLDIFF element mass fractions in case of a diffusion input model DIFFUSION MODEL read a diffusion model calculated by NGRT In general an atomic data file for a selected wavelength range in order to limit the number of frequency points should be created using ATOMS2 e g with the card LINEFORMATION RBB
30. OATOM gt SOURCE BI atoms2 sys ls 1 ATOMS cp ATOMS AA H He_lte atoms2 set x HOME jobend TMPDIR HOME jobstart NLTE model bin sh set x cat gt options lt lt eos AUTO ION H I 16 16 16 AUTO ION HE II 14 32 14 CBB AUTO FILL CBF AUTO FILL CBX AUTO FILL RBB AUTO FILL NONE RBF AUTO FILL RDI AUTO FILL NONE END OPTIONS eos cp AA H He PROATOM expand options PROATOM gt SOURCE BI atoms2 sys ls 1 ATOMS cp ATOMS AA H He atoms2 set x HOME jobend TMPDIR HOME jobstart How to calculate a NLTE model with TMAP D 8 2 SETF2 73 e Edit both files H Helte_setf2 and H He_setf2 in home lt user gt jobs setf2 Set the temperature on 100000K and make sure that it refers to H He_lte atoms2 Table 7 Example for a setf2 job in the case of LTE and NLTE model atmosphere calculations LTE model bin sh set x TT 0100000 type _lte cp AA H He type atoms2 ATOMS BI setf2 sys lt lt TT PRINT CHECK 1 30E 16 1 10 10 if test then cp FGRID FF H He_ TT type setf2 else echo fi set x HOME jobend TMPDIR HOME jobstart s FGRID no FGRID created NLTE model bin sh set x TT 0100000 type cp AA H He type atoms2 ATOMS BI setf2 sys lt lt TT PRINT CHECK 1 30E 16 1 10 10 if test then cp F
31. RE CORRECTION may be used in interplay with the standard PRO2 temperature correction because it yields the temperature of the inner atmosphere quickly and thus stabilizes the numerics In the outer atmosphere starting from the line forming region the UNSOELD LUCY TEMPERATURE CORRECTION is not giving a reliable temperature stratification TZ 12 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D 8 Example A model with hydrogen and helium T 100000 K log g 7 and number fractions H 0 9 and He 0 1 Basic H and He model atoms are provided by TMAD http astro uni tuebingen de TMAD These are combined then in AA H He D 8 1 ATOMS 2 e Copy the job file in home lt user gt jobs atoms2 to H He job It needs a file H He with the atomic data in home lt user gt adaten Edit both files the test_atmos job and the test_atoms_Ite job with emacs Make sure you use the atomic data file H He e After editing execute the job file and create an output file for both jobs and check the output files for error messages Table 6 Example for the atoms2 job in the case of LTE and NLTE model atmosphere calculations LTE model bin sh set x cat gt options lt lt eos AUTO ION H I 16 16 16 AUTO ION HE II 14 32 14 CBB AUTO FILL CBF AUTO FILL CBX AUTO FILL RBB AUTO FILL NONE RBF AUTO FILL NOOP RDI AUTO FILL NONE END OPTIONS eos cp AA H He PROATOM expand options PR
32. ROFI at the beginning of the session 11 3 PLXY The program PLXY is an universal plot program for VMS and UNIX The UNIX version is based on the PGPLOT graphics subroutine library which is provided by the California Insti tute of Technology in the www a documentation about this library is found under http astro caltech edu tjp pgplot documentation It expects in the plot data file only a x y table Optional commands can be given either by keywords see below in the plot data file or interactively Auxiliaries 99 11 3 1 Keywords for Commands in Plot Data Files The program PLX Y accepts some commands given in the plot data file which can be inserted at every position but flushed to the left Valid are the last commands given before the end of a data set Strings e g for a comment start directly after the without any Pa e 0 origin of the plot Xo Yo in cm new plot box e A abscissa label OFF no label e B width of plot box given in cm e C color index 16 colors are predefined Fig 1 they can be changed interactively e D line style 1 full line 2 dashed 3 dot dash dot dash 4 dotted 5 dash dot dot dot e E distance of tick marks e H height of plot box given in cm e K comment e M star position for sky map Example e M 1 0 03 44 0 44 04 12 0 Longmore 4 e N new data set e 0 ordinate label OFF no label e P thickness of line e S plot symbols numbers taken from the PGPLOT sym
33. T AFTER STEP UP In general after each increase of f values the Broyden Kantorovich method is reset This card suppresses this reset STEP UP F VALUES LIMIT FOR ABS REL NG CORRECTION x In case that the absolute relative total density correction exceeds x default value 0 1 the next step up is skipped GAMMA 1 The value defines the optical depth 7 y which separates the region of the line wing for which the core and the wing approximations shall be used IGNORE CPU TIME LIMIT set the security time necessary to complete the job equal 0 This can only be used if it is sure that the requested number of iterations can be completed within the jobs run time limit INCREASE COLLISIONAL RATES BY FACTOR x The collisional rates can be increased in order to simulate a LTE model atmosphere The factor x has to be gt 10 in order to guarantee that collisions dominate the photosphere INNER BOUNDARY LAMBDA ITERATION NLTE Models PRO2 29 INPUT MODEL FORMATTED ITMAX 1 maximum number of Scharmer iterations JACOBI FRESH UP INTERVAL 5 calculation of the Jacobian every 5 Scharmer iteration Only valid in case of Broyden or Kan torovich method KANTOROVICH 2 SWITCH LIMITS 0 gt 1 1 gt 2 2 gt 1 1 E33 0 1 1 0 like the BROYDEN card 0 Newton Raphson iteration 1 Jacobian is calculated at the beginning of every Scharmer iteration but then kept constant 2 Jacobian is calcula
34. TE Model Atmosphere Package TMAP 8 NLTE Line Formation and Models LINE1 39 Bl Tnpub Pils qos shew oed kn X Relax ee ech ech eh BO EE BR a wed 39 8 2 Output Files zuo ra Se E BH A d ee are a ale a s 42 nur rco e ote Se Ba ee eee ee A Ree ea eee oe ee 43 9 Synthetic Spectra LINE1_PROF 48 10 Clean Up 50 10 1 Delete TMAP Working Directories lll 50 10 2 Kil TMAP Jobs uoo 4 4 aA anna nannten 50 11 Auxiliaries 51 MA PEADD RARA He nk Sexe Docket were ue E eer AE wed 51 LIS PROERD bsos teu errado Bees rd a 52 11 2 1 Line Profile Data Files 2 oo aaa 52 LAR BD aunq peu ra a ia in ee he 53 1123 PROFI Auxiliary Files ss au a a u 8 0 EGRE e Ee EC t RES HA 53 A a bee ie eee Be Sk Be ei 2 gk hate ena eee oa eo ee 54 11 3 1 Keywords for Commands in Plot Data Files 55 1132 Opus devices zie wa au Rx a an an e A A 56 E A en bed ee ae a oe ee ea ee eh oe 56 A AA ee Gwe ee ee A NA 56 110 WRPLOT sirieni 4 eee deen ee aoe es b EDU Loe e Doe dis e GA 57 A Formula Collection 58 Aul CBB Transitions eera d d oae uo rar a De C o a a e a 58 A 1 1 van Regemorter Formula Allowed Dipole Transitions 58 A L2 Forbidden Transitions e lt 4 Pom 656664 584 545 4 heit 58 mol Hydrogen ra E ob Res e eRe E e NE E mE E d 58 A uM cT 58 A 1 5 Her Allowed Transitions from its Ground State 59 A 1 6 Her Allowed Transitions but not from its Ground State 59 A 1 7 Her Forbidden Transition
35. TERATION XXXX PRINT OPTIONS PRINT MODEL ATOMS OVERVIEW PRINT LEVELS PRINT LTE MODEL PRINT TEMPERATURE CORRECTIONS ITERATION XXXX ALL DEPTHS PRINT TEMPERATURE CORRECTIONS ITERATION XXXX MAX PRINT WARNINGS The final model is saved by LTE2 into the file MODELL The last record in MODELL is MODPRG DATE TIME CHARACTER MODPRG x5 DATEx8 TIMEx8 with MODPRG LTE2 DATE and TIME with actual creation time is added in order to identify the model The temperature structure of the model is saved in the file TOUT see above The program LTE2 is available at T bingen s PC Workstation cluster in its latest version home rauch bimod 1te2 Linux x64 The actual PARAMETERS are e NATOMAX 3 e NIONMAX 9 e NLMAX 139 e LTEMAX 109 e NFMAX 1299 Other executables of LTE2 with different PARAMETERs have to be created Sect 1 24 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 5 NLTE Models PRO2 5 1 The Method The program PRO2 Werner 1986 Werner et al 2003 Rauch amp Deetjen 2003 Werner et al 2012 calculates plane parallel NLTE model atmospheres in radiative and hydrostatic equilibrium It is based on the Accelerated Lambda Iteration ALI method Werner amp Husfeld 1985 It consists mainly out of two iteration cycles The outer cycle is called Scharmer iteration this name is taken from Scharmer 1981 who wo
36. TERx50 string In detail the fields have the following meaning 3 4 5 6 Tena idiota Uuuu LILILILILILIEILIE LIEIEIEIEIEIEIEIE LEILIEIEIEIEIEIEIEIETEIETE TET field 1 e CONT for all continuum points which were set in accordance to ATOMS DATEN CONTS MAN and F_BASE e C ED for all continuum points which were automatically created e g in order to separate integration intervals e EDGE for all continuum points which were inserted to represent the bound free transitions in ATOMS see above e LINE for all line transition points field 2 e HALF for all line transition points half lines see above e FULL for all line transition points full lines see above e RED for all continuum points at the end of integration intervals in general from one bound free transition to another e BLUE RED RED and BLUE indicate the location of the point relatively to the threshold edge BLUE is set exactly at the threshold frequency RED is set at longer wavelength i e redwards field 3 e for threshold frequency points for levels ionizing into excited levels 18 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP field 4 e AUTO_ADD for all automatically inserted continuum frequency points to fill up too large intervals e AUTO_IR for all automatically inserted continuum frequency points to fill up to the IR limit of 1 0 10 2Hz e AUTO_UV
37. TF2 will then insert a few more frequency points e half lines have corrected weights e In the case of line overlaps full lines have to be considered automatically line parameter 1 or better 1 or keyword DB in ATOMS The output of SETF2 should be controlled in detail SETF2 comments all operations and gives warnings in case of ambiguity In the case of fatal errors SETF2 terminates The quadrature weights require special attention the check sums of all single intervals as well as of the complete frequency grid have to be ezactly 1 If this is not the case it is possible Creation of Frequency Grids 19 that negative quadrature weights appear half lines in cases were full lines are necessary In order to correct for this the atomic data file ATOMS has to be modified keyword DB or the line parameter has to be set to 1 this automatically corrects these cases Attention A frequency grid with wrong quadrature weights will cause an abort in programs like PRO2 or LINE1 The size of the output is controlled by the output parameter e PRINT CHECK reduces the output to a minimum only warnings fatal errors and information about the quadrature weights are displayed e PRINT gives a complete output incl the complete frequency grid In both cases the parameter NFMAX NRBBMAX NRBBMAD and NRBFMAW Sect 1 are printed which are valid for ATOMS and FGRID Under unix a grep para output filename extra
38. U Atomic Number 44 45 46 47 48 49 50 ol 52 53 54 59 56 97 58 59 60 62 63 64 65 66 67 68 69 70 71 12 73 74 75 76 TT 78 79 80 sl 82 83 90 92 Table 4 continued Atomic Weight 101 0700 102 9055 106 4200 107 8682 112 4110 114 8180 118 7100 121 7600 127 6000 126 9045 131 2930 132 9055 137 3270 138 9055 140 1160 140 9077 144 2400 150 3600 151 9640 157 2500 158 9253 162 5000 164 9303 167 2590 168 9342 173 0400 174 9670 178 4900 180 9479 183 8400 186 2070 190 2300 192 2170 195 0780 196 9666 200 5900 204 3833 207 2000 208 9804 232 0381 238 0298 log x 1 75 0 89 1 55 0 96 1 77 0 80 2 02 1 01 2 18 1 55 2 24 1 08 2 25 1 11 1 58 0 72 1 42 0 95 0 52 1 08 0 31 1 10 0 48 0 93 0 11 0 85 0 10 0 85 0 12 0 83 0 26 1 40 1 42 1 62 0 91 LIT 0 90 1 92 0 65 0 03 0 54 n X n H by number 5 623x 10 11 776210 3 548x 10 11 9 120 x10 amp 5 888 x 10 11 6 310x10 2 1 047 x10 10 1 023x 10 1 1 514x 10 10 3 548x10 H 1 738x10710 1 202x 10 1 1 778x10710 1 288x 10 1 3 802107 5 248x 107 2 630107 8 913x 10 2 3 311x1072 1 202x 10 1 2 049 s 10 12 1 259x 10 1 3 020x10 2 8 511 x10 2 1 288x107 2 7 079x10 2 1 259x 10 12 7 079x10712 7 586x10713 6 761x10 2 1 820x107 2 2 512x10 11 2 630x10 1 4 169x 10 1 8 198x10 9 1 479x 10 1 7 943x 10 1 8 318x 10 11 4 467 x10 2 1072x109 2 884x10 13 n X n He by numbe
39. UTE is the ionization threshold energy of the lowest LTE level cf Uns ld 1968 A 5 2 Including Contributions of LTE Levels with Gaunt Factors zZ v3vVT Ta v T 3 694 10 ga v T e win kT _ 1 A 5 3 With Gaunt Factors no LTE Contributions Z Z 8 REPE Or 1 T 3 694 105gg v T AUT For the free free Gaunt factors the default is a calculation following Mihalas 1967 ApJ 149 169 Since these values are calculated from a fit formula within 100 lt A lt 10000 and an extension to longer wavelengths data valid from submillimetre to hard X ray wavelengths and for temperatures from 10 10 K provided by Sutherland 1998 can be chosen by input card Sect 5 4 Fundamental Constants B Fundamental Constants 65 In all programs of the Tiibingen NLTE Model Atmosphere Package TMAP the values of the fundamental constants are the same They are summarized in Tab 3 constant Moo Mp R Table 3 Fundamental constants used in TMAP value 2 99792458 4 80320425 1 25 6 62606957 1 3806488 9 10938291 1 6726217776 109737 31568539 4 x arctan 1 10 x 10710 x10 99 x10 x10 x10728 x107 dimension name cm s esu esu erg s erg K g g cm e 1 velocity of light electron charge Holtsmark normal field strength Planck constant Boltzmann constant electron mass proton mass Rydberg constant 66 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP
40. X NRFFMAX NCBXMAX NRLLMAX NRLUMAX NRBBMAD NRBFMAD NCBBMAD NCBFMAD NRFFMAD NCBXMAD NRLLMAD NRLUMAD NRDIMAX NRDIMAD NSIG maximum numbers of NLTE levels ions elements frequency points LTE levels NLTE levels block matrix method for one element radiative bound bound transitions radiative bound free transitions collisional bound bound transitions collisional bound free transitions radiative free free transitions collisional bound bound transitions to LTE levels radiative transitions within a band of a complex ion radiative transitions low up of complex ions data points in formula used for RBB data points in formula used for RBF data points in formula used for CBB data points in formula used for CBF data points in formula used for RFF data points in formula used for CBX data points in formula used for RLL data points in formula used for RLU radiative di electronic transitions data points in formula used for RDI size of array SIGBF NRBFx frequency points 25 NSIG uses the number of frequency points between the thresholds and the maximum energy This reduces the size of he array SIGBF and saves core memory These PARAMETERS are given in the output of ATOMS2 and SETF2 please use e g grep para to extract them for this output The PARAMETER NSIG is named there NRBFMAW In the PARAMETER files used for the compilation of LINE1 NSIG has to be eliminated from PARA3 INC and NRBFMAW has to be added
41. _lte_setf2 and lt name gt setf2 in home user jobs setf2 Adjust the temperature and make sure that it refers to lt name gt _lte atoms2 run both jobs and create output files with lt name gt _setf2 gt lt name gt _setf2 out and lt name gt _lte_setf2 gt lt name gt _lte_setf2 out How to calculate a NLTE model with TMAP 69 it writes the files lt name gt _ lt temperature gt lte setf2 and lt name gt _ lt temperature gt setf2 to home lt user gt fgrids D 4 Adaption of the Parameter files D 5 D 6 extract the parameters from the lt name gt _atoms out file with grep para lt name gt _atoms out and from the output file lt name gt _setf2 out of the frequency grid if you want to save the parameters you can write them in a file with grep para lt name gt _atoms out gt object out the parameter files for PRO2 can be found in home lt user gt parameter pro2 copy the existing parameter files to PARA_ lt name gt INC PARA1_ lt name gt INC PARA3_ lt name gt INC and adjust them by using the parameters from lt name gt _atoms out NOTICE the values in the parameter files should never be 0 compile with ssh ait320 load pro2 lt name gt P4 x64 use P4 for 32bit machines x64 for 64bit machines the program is created in home lt user gt bimod pro2_ lt name gt Linux_ P4 x64 Calculation of a start model with LTE2 edit lt name gt _lte job with emacs Adjust the temperature log g and the abundances of the
42. al v gt s ybase The largest base grid can actually contain 200 000 frequency points Subsequently SETF2 creates like described above the normal frequency grid based on ATOMS and DATEN The line parameter is automatically set to 1 In contrast to frequency points requested in CONTS_MAN which are definitely present in the created FGRID all base grid points are eliminated if normal frequency points including points Creation of Frequency Grids 17 requested in CONTS_MAN are found in the interval E vbse pese di Cu vise Hz F_BASE can be created using prep contsman see above POS LIST This optional file contains additional frequency points given in or Hz It should be created by home rauch tools line identification POS job edited for the required elements and ionic species for Kurucz POS lines only SETF 2 reads the line centers from POS LIST and creates for each line nine frequency points A A 0 005 0 003 0 002 0 001 0 000 0 001 0 002 0 003 0 005 This is necessary to avoid artificial fading of iron group lines by a later convolution of the synthetic spectrum with a rotational of instrumental profile After the creation of the frequency grid in accordance with ATOMS DATEN CONTS MAN F BASE POS LIST the IR UV and EUV range and the intervals between the lines and edge are automatically completed Every frequency point is unambiguously named in the frequency grid with a CHARAC
43. altered at least for lower surface gravities A test calculation with PRO2 will show the line widths Use e g H1 1215 A and reduce the maximum DB values In case that they are too low steps in the flux level are prominent in the line wings The Doppler width of a specific line can be calculated by home rauch bimod doppler Linux_x64 The DB adjustment results in a lower number of frequency points and thus faster model calculation A good compromise may also be to replace DB 33 2048 0 1024 0 512 0 256 0 128 7 0 64 0 32 0 16 0 8 0 4 0 2 UU L0 0 9 20 9 0 2 UL 0 0 Qt 0 2 0 3 0 5 14 9 25 0 4 0 8 0 16 0 32 0 64 0 128 0 256 0 512 0 1024 0 2048 0 by the insertion of a grid of additional frequency points using e g home rauch bimod prepN contsN man LinuxN x64 gt FN BASE lt lt eos 1175 1255 0 5 eos and a reduced DB that represents the line core much finer than the base grid for F BASE see Sect 3 DB 15 2048 0 2 0 LD 20 5 0 3 01 2 20 1 0 0 0 3 0 5 10 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 2 4 TMAD The T bingen model atom database TMAD http astro uni tuebingen de TMAD provides ready to use model atoms in TMAP format 2 4 1 Model calculations PRO2 TMAD provides in general model atoms at maximum size i e using all data from standard atomic data resources For model calculations model ions can be reduced typically to 15 to 20 NLTE levels S
44. ameter fi A 1 7 Her Forbidden Transitions from its Ground State following Mihalas Stone a 1 Cy Tao NeV T Uo ao E uo a Uoge bruo ra a2Uge b2u0 y Ta TMe neg o bi uo 2 Ic UAE T uo 3 Ey Nef Z hus Z 1 8 input parameters a ai bi c found in tabular form in M amp S Attention their equation A16 is wrong A 1 8 He r Forbidden Transitions between its n 2 Sublevels following Mihalas amp Stone k neV Te Po Tp T 2 Ci Tao TU TIL Eo hv logI co c log T c_2 log T 3 input parameters co C1 C_2 in tabular form by M amp S 60 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A 1 9 Unknown Collisional Cross Sections 8k Cj rao ne V Te 1 uo TMe A 1 10 Q Fit of 3rd Degree no input parameter like A 1 2 but 4 gt a log T i 1 4 input parameters a1 42 43 Q4 A 1 11 Mg Allowed Transitions from its Ground State following Mihalas 1972 8k 2 Ci Tao TMe E 2 NeV Taf uo aE uo be Eo 2 input parameters a b A 1 12 van Regemorter Combined Levels of Complex Ions 8k Tm Ne VTe T T Ci Tag log I3 T ay aya azz azz x log kT in eV 4 input parameters ao 1 G2 a3 A 1 21 Her Transition between its Levels with s lt 4 D Hummer priv comm no input parameter A 1 25 Q Fit in Temperature General Case equal to D
45. bols a small selection is summa rized in Tab 2 e T title 56 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Table 2 Selection of plot symbols available for the use in PLXY symbol 840 841 842 843 844 845 846 847 x Le OB os e X un Amex e Y Vrain ave 11 3 2 Output devices Three output devices can be requested 0 dev null i e no output 3 PostScript file plry xxxx eps sexx is a running counter 5 screen 11 4 RTFZ RTFZ may be used to normalized spectra individually RTFZ expects a xy table with the original spectrum Continuum points can be set manually and a cubic spline fit will be performed for selected parts of the spectrum In order to achieve more clarity it is possible to smooth the spectra during the rectifying process by a Savitzky Golay filter 115 TEUV The T bingen EUV Absorption TEUV tool was created to apply interstellar absorption to theoretical stellar spectra in the wavelength range A lt 911 where bound free absorption by interstellar elements has a string influence on observed fluxes This has to be considered when these observations are modeled The hot and cool components of the interstellar medium are represented in the TEUV tool The program is intuitive to handle and controlled via a web interface http astro uni tuebingen de TEUV where all parameters of the interstellar components can be entered and the input model flux table can be uploaded Fo
46. can be given in the files ABUNDi which are applied to the occupation numbers of the model MODINi respectively Example C 2 N 1 3 It is recommended to add the complete set of occupations numbers to a model that does not include the respective species Otherwise the lower levels may artificially be underoccupied ADJUST In practice NLTE model atmosphere calculations have shown that is is not possible in all cases to consider all line transitions simultaneously from the beginning One method to overcome this problem is to reduce the oscillator strengths at the beginning with reduction factors which increase to unity in the course of the iteration The input file ADJUST contains the reduction factors and the factors with which the reduction factors are increased every iteration until the original oscillator strengths are reached Example C4 C4 1 0E 5 1 C4228 C422P 0 01 1 05 C4528 C452P 1 0E 5 1 0E 00 means the oscillator strengths of all C rv line transitions are reduced by a factor of 10 This factor is constant over the whole calculation Additionally the C 1v 2s 2p line is individually reduced by the factor of 0 01 gt total of 1077 but this factor 0 01 is increased by 5 every iteration The C iv 5s 5p line is considered with its correct oscillator strength 1075 10 1 In the case that the temperature correction yields negative temperatu
47. ch ning amp Butler 1989a b STARK_C4 tables for C rv Sch ning 1993 STARK_N5 tables for N v Sch ning 1995 STARK_HEI tables for He 1 Dimitrijevic amp Sahal Brechot 1990 STARK_CIV tables for C rv Dimitrijevic et al 1991b Dimitrijevic amp Sahal Brechot 1992c STARK_CV tables for C v Dimitrijevic amp Sahal Brechot 1996 STARK_NV 42 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP tables for N v Dimitrijevic amp Sahal Brechot 1992b STARK_OIV tables for O tv Dimitrijevic amp Sahal Brechot 1995 STARK_OV tables for O v Dimitrijevic amp Sahal Brechot 1995 STARK_OVI tables for O v Dimitrijevic amp Sahal Brechot 1992a STARK SIIV tables for Si rv Dimitrijevic et al 1991a STARK_SVI tables for S v Dimitrijevic amp Sahal Brechot 1993 Note For H 1 He 1 He n C 1v STARK_C4 and N v STARK_N5 the tables have only to be loaded LINE1 uses these data files if they are available For the other ions an option has to be given see below in DATEN to use the broadening tables for all lines of the ion or for selected line transitions by requesting formula 5 keyword RBB in ATOMS Sect 2 8 2 Output Files The program LINE creates besides STDOUT the following plot data files in accordance with the options given Note that in general wavelengths lt 3000 A are given as vacuum wavelengths and wavelengths gt 3000 A as air wavelengths ANGJ_C DAT specific int
48. ctra calculations LINE1_PROF To calculate the emergent synthetic spectrum a formal solution is performed with LINE1 PROF TMAD provides model atoms that account for fine structure splitting of the atomic levels These have to be the same like the unsplitted levels used for the line formation calculations Sect 2 4 2 2 5 ATOMS2 The interactively created atomic data file is if designed following the instructions in Sect 2 ready i e it can be used for the creation of a frequency grid as well as for model atmosphere calculations However it is highly recommended to process it with the program ATOMS2 which is able to detect a lot of errors and gives warnings In case of fatal errors it even terminates There exist options which make ATOMS2 create automatically model ions or fill up them The program ATOMS2 is available at T bingen s PC Workstation cluster in its latest version home rauch bimod atoms2 Linux x64 An atomic data file ATOMS created by ATOMS 2 is unambiguously defined by e the input file here OPTIONEN e the interactively created atomic data file here ATOMIN Creation of Atomic Data Files 11 In the input file OPTIONEN one can write directives for ATOMS2 ATOMS2 expects OP TIONEN and ATOMIN subsequently as input OPTIONEN has to be finished in any case with END OPTIONS even if none of the following options is given AUTO ION HB 4 in il ir This option creates a complete H model atom in is the p
49. cts them from the output file e PRINT ASCII FGRID is created formatted In case that the input atomic data file was created by ATOMS2 for line profile calculations Sect 2 SETF2 creates two files ION USER and LINIEN_USER that may be used as input files JON and LINIEN for LINE1_PROF Sect 9 LINIEN_USER contains a line closest to the center of the RBB interval ATOMS2 Sect 2 and a respective BLENDRANGE to cover the complete RBB interval JON_USER contains the proper ion according to LINIEN USER 20 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A Start Models Start models are necessary for the programs PRO2 and LINE1 They can come from different sources Within the T bingen NLTE Model Atmosphere Package TMAP all models can be used as start models It is distinguished between two types of start models 4 1 PRO2 and LINE1 Models A model which is calculated by PRO2 or LINE1 can be used as start model The convergent models with the same parameters same ATOMS and FGRID from both programs should be identical New NLTE levels i e levels that are not found in the start model are set to LTE occupation numbers This is valid especially for completely new elements and can be a problem in the case of higher elemental abundances due to the inconsistency in the conservation of particles For the detailed calculation of line profiles automatic multiplet splitting is optional in ZINE1 for all C tv N v O vr le
50. e lt user gt model H He lte The file is called 0100000_7 00_0 900_0 100 bin sh set x S HOME jobstart do not edit the beginning of this file AABB RR RR RR RR RR RR RR RRA ZZ own job following 44 Tg common paths GRP home rauch group A user part directories etc code lte2 mod H He type _lte jobdir JO lte flxdir JO lte model parameters H 0 900 HE 0 100 A GGM 7 00 TIM 0100000 name TIM _ GGM fn mod aa AA fn S type atoms2 ff FF fn _ TIM type setf2 if test s ff then echo TIM gt SDATEN echo PRINT CHECK gt gt SDATEN echo 1 30E 16 gt gt SDATEN echo 1 gt gt SDATEN 76 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP echo 20 10 gt gt SDATEN cp aa ATOMS BI setf2 sys lt SDATEN 1 gt amp 1 if test f FGRID then cp FGRID ff chmod 600 S ff echo new frequency grid created ls 1 ff else echo no new frequency grid created break fi rm fi MO MO mod 1te name H HE f if test s MO then echo 2 1 H HE gt normH echo 2 2 H HE gt normHE HN home rauch bimod normalize sys lt normH 2 gt dev null 1 gt amp 1 HEN home rauch bimod normalize sys lt normHE 2 gt dev null 1 gt 1 cat gt LDATEN lt
51. e selected lines the interval CONT RED CONT BLUE Sect 3 is used with all included blends In order to study the equivalent widths of selected lines in detail the blendrange has to be set to a small enough value that includes only the components of the multiplet or the atomic data file 46 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP ATOMS has to be created with only the requested line transition PRINT EQUIVALENT WIDTH LONG like PRINT EQUIVALENT WIDTH but this table includes all frequency points in the interval CONT RED CONT BLUE and gives additionally the accumulated equivalent widths PRINT MULTIPLET SPLITTING LINE1 is able to split the NLTE occupation number of multiplets see above With this card all multiplet splittings are reported PRINT VCS TABLE PRINT FORMATION DEPTH OF LINES AND THRESHOLDS PRINT FREQUENCY GRID FGRID_2 print the internally created frequency grid see above for the line profile calculations PRINT LEVELS WITH LTE START VALUES PRINT LINES AND BLENDS PRINT PROFILE TYPES With this option information about the used line broadening theories for all calculated lines is printed to STDOUT The same information is always included in the plot data file PLPRF as far as the necessary plot option see below is active to create it PRINT STATISTICS OF FGRID_2 PRINT WARNINGS PLOT EMERGENT FLUX LOG FNUE
52. e to be given npis the number of a subset of the data which is used for a fit mis the degree of the polynomial used in the least squares fit method m has to be carefully chosen a too high value smoothes out real spectral features Creation of Frequency Grids 15 3 Creation of Frequency Grids The program SETF2 creates the binary file FGRID which contains the frequency grid used by LTE2 PRO2 and LINE1 SETF2 processes data from the atomic data file ATOMS Attention SETF2 has not the capabilities to detect errors like ATOMS2 For the creation of a frequency grid SETF2 uses only data which belongs to the keywords L RBF und RBB Sect 2 2 and checks these for errors Thus it 1s indispensable to transform every new or modified interactively created atomic data file with the program ATOMS2 in order to check for errors and inner consistency The program SETF 2 is available for all users at T bingen s PC cluster in its latest version home rauch bimod setf2 Linux_ lt X86 P4 x64 gt A frequency grid is unambiguously defined by its input files ATOMS DATEN CONTS_MAN F_BASE and POS_LIST All frequency points are clearly named TYP in the frequency grid see below ATOMS is the atomic data file Sect 2 DATEN This file contains e the effective temperature Teg e the output parameter e the weight parameter vw e the line parameter e the EUV parameters EUVmaz und EUVnumber e f value limit The effective temperatu
53. ect 2 5 cf Jahn et al 2007 to avoid unreasonable computation times In addition the input for the DB keyword Sect 2 5 has to be adjusted to avoid calculations of line profile very far off the line centers where the line absorption is negligible TMAD uses a standard of 2400 Doppler widths which may be necessary only for models with very high surface gravities 2 4 2 Line formation calculations PRO2 Models from Sect 2 4 1 may not include all levels e g for CIv lines in the optical wavelength range around 4660 A Thus a subsequent line formation calculation has to be performed with fixed atmospheric structure i e only NLTE occupation numbers for the atomic levels are calculated It may not be useful to extend all ions and to consider all levels given in TMAD The cookbook says for all ions for which lines are identified include five more levels than the highest from which strategic lines are arising In case of the Civ A4660 A Heit 44685 A absorption trough in PG 1159 stars it is sufficient to extend C IV only for a line formation calculation even in models that consider all species from H to Ni LINE1 and LINE1_PROF provide the possibility to collect occupations numbers of newly considered levels from different models Sect 8 3 e g if five line formation calculations were per formed based on the same model with individually extended C 1v Ov O vi Ne vI and Ar VI This saves an enormous amount of CPU time 2 4 3 Spe
54. ecutable binaries of LTE2 and PRO2 home lt user gt fgrids is the directory for the frequency grids that were produced with SETF2 home lt user gt jobs is the directory for all the job files ATOMS2 SETF2 LTE2 and PRO2 home lt user gt models is the directory where the calculated models from LTE2 and PRO2 are For our script we use the following definitions shell variables setenv AA home lt user gt adaten setenv BI home lt user gt bimod setenv FF home lt user gt fgrids setenv JO home lt user gt jobs setenv MO home lt user gt models D 2 Creation of atomic data files with ATOMS2 e Change into the directory home lt user gt jobs atoms2 and copy the template job file to lt name gt job It needs a file lt name gt with the atomic data in home lt user gt adaten The name lt name gt can be chosen to contain all the elements used in the model e g H He e You need to edit both files test_atmos_lte job and test_atoms job e g with emacs The first one is for LTE2 the second one for PRO2 e After editing execute the job files and create output files for both jobs with lt name gt _atoms job gt lt name gt _atoms out and lt name gt _atoms_lte job gt lt name gt _atoms_lte out e Check both output files with emacs for error messages e The jobs create ASCII files e g home lt user gt adaten lt name gt atoms2 D 3 Creation of a frequency grid with SETF2 edit both files lt name gt
55. elements used as normalized number fraction and check if the used files have the right name input files lt name gt _lte atoms2 lt name gt _temperature_lte setf2 start the job and write it into an output file with nice 19 lt name gt _lte job gt lt name gt _lte out the Ite model is written to home lt user gt model lt name gt lte The file is called temperature_logg_numberfraction element a numberfraction element b e g 0100000 7 00 1 000 0 000 Calculation of a NLTE model with PRO2 edit the lt name gt _nlte job in emacs Adjust the temperature log g and the abundances of the used elements and check if the used files have the right name input files lt name gt atoms2 lt name gt _temperature setf2 and the LTE2 model as input model start the job with nice 19 lt name gt _nlte job gt lt name gt _nlte out the output model is written to home lt user gt model lt name gt 70 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D 7 Strategy to calculate a NLTE model with PRO2 Some models calculate without any problem using the LTE2 start model and an atomic data files that contains all lines This can be tested first In case that this approach fails try to follow these steps Table 5 Steps to calculate a NLTE model with PRO2 line temperature ATOMS FGRID step da comment transitions correction calculated for 1 no no LTE2 LTE2 very fast due to minimum NF should work in all cases at
56. eliminated from the statistical equations SKIP LEVELS BELOW x levels with occupation numbers less than x are eliminated from the statistical equations SKIP OCCDRVF AFTER 1ST LINEARIZATION The derivations of the source functions are only calculated once in the 1st linearization and are then kept fixed Attention This saves an enormous amount of computational time in case of many NLTE levels and many frequency points but it works well only in the case of almost converged models SOLVE STATISTICAL EQUATIONS ONLY switches off the constraint equations for ne ng Mg T SOLVE STATISTICAL EQUATIONS ONLY RE SOLVE PARTICLE CONSERVATION switches off the constraint equations for n ny Mg T within the Newton Raphson iteration The hydrostatic and particle conservation equations are then solved subsequently SWITCH OFF LINES All line transitions are ignored Attention sample lines of iron group elements can not be switched off TIME LIMIT 2000 cpu time for the job to calculate Only valid on non CRAY machines TRANSITION IN DETAILED RADIATIVE BALANCE XXXXXXXXXXYYYYYYYYYY With this option the radiative transition XXXXXXXXXXYYYYYYYYYY given in the TMAP code Sect 2 1 is calculated in detailed radiative equilibrium Thus this transition is eliminated from the statistical equations but not from the calculation of the opacities and emissivities UNSOELD LUCY TEMPERATURE CORRECTION DAMP x With this option the radiat
57. ensities are created To be able to display these models the maximum number of output wavelength points is reduced It may take some seconds until these corrections are applied Then the uploaded model observation and corrected model are displayed For an easier adjustment of the parameters the user can choose to display the models with varied H 1 and or He1 column densities If the user wants to download the resulting model the Download your ISM_choice button can be used This triggers the calculation of the corrected model without normalization for all entered wavelength points with the instrumental resolution applied If the TEUV tool is used to determine results that are published later the quote to cite in the acknowledgement is given at the website The user can store the resulting file via the Get your results file button 11 6 WRPLOT WRPLOT is a program by Wolf Rainer Hamann ae al which can be used to manipulate and visu alize data A manual for the use of this program is available at http astro uni tuebingen de TMAP 58 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A Formula Collection In this formula collection those formulae are summarized which are used in the programs of the T bingen NLTE Model Atmosphere Package TMAP The abbreviations for the different transitions CBF refer to those of Sect 1 The last numbers of the section titles are the formula numbers which have to be
58. ensity continuum only for different angles see PARAMETER NA Sect 1 ANGJ_L DAT specific intensity for different angles see PARAMETER NA Sect 1 PLDEP departure coefficients for selected levels PLDIFF abundance profiles for all elements PLEFL emergent flux complete frequency interval PLLP limit 7 1 complete frequency interval PLPRF line profiles PLRBF bound free cross sections of selected levels PLWF emergent flux FA A WF denotes wavelength flux PLWFP emergent flux F4 A and relative flux F4 Feont WFP denotes wavelength flux normalized flux profiles LINE1 43 PLWFP_VACUUM emergent flux F4 A and the relative flux F Fron WFP VACUUM denotes wavelength flux normalized flux profiles All wavelengths are vacuum wavelengths PLWP emergent flux FA A WP denotes wavelength normalized flux profiles STRUCTURE temperature stratification For the evaluation and visualization of the output and plot data files several auxiliary programs are available Sect 11 8 3 Options For LINE1 most of the options described in Sect 5 4 and 5 5 are valid There are some further options Their meaning should be clear ACCEPT CHANGED EFFECTIVE TEMPERATURE X LINE1 generally takes T gfrom the start model MODIN For very large models the change of Teg in small steps takes much less times than the complete new calculation with mainly the same parameters Howe
59. ernal atomic data and frequency grid files by LINE1 This minimizes both core memory and computational time requirements e LINE1 considers in the creation of the internal atomic data and frequency grid files only those radiative bound free RBF transitions with an ionization energy smaller than c Ao ABlendrange because RBF transitions with a higher ionization energy do not contribute to the opacity within the blendrange This minimizes also the core memory and computational time requirements XXXXXXXXXXYYYYYYYYYY TMAP code Sect 2 1 of selected lines for which theoretical line profiles shall be calculated SETF2 creates this file for a given atomic data file Sect 3 MODIN start model Sect 4 MODINi see ABUNDi OP_RBF_XXXX bound free cross sections from the Opacity Project for levels of the ion XXXX STARK_H1 VCS like Stark broadening tables for H 1 Hrline broadening has changed in since 2008 The reason is that an error in the H 1 line broadening tables by Lemke 1997 that were used before for high members of the spectral series only These were substituted by a Holtsmark approximation In addition Tremblay amp Bergeron 2009 provide new parameter free Stark line broadening tables for HI considering non ideal effects These replaced Lemke s data for the lowest ten members of the H 1 Lyman and Balmer series STARK HEI tables of Barnard et al 1969 and Griem 1974 for He 1 STARK HE2 VCS like tables for He 11 S
60. error message partly only in the log file STOP Tours das Working with model atoms much below the PARAMETER limits is a waste of core memory and I O time Take care that the PARAMETER values do not create bank conflicts ie avoid 2 values 6 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 2 Creation of Atomic Data Files All programs expect an atomic data file which contains model atoms and atomic data It is firstly created by the user Sect 2 7 and then processed by the program ATOMS2 The model ions of one element have to be inserted in increasing order while any order of elements is accepted The processing of the atomic data file is directed by keywords which meanings are explained in the following All keywords as well as all strings have to be inserted flush left e g level names Sect 2 1 All numerical data can be written format free Attention all input lines have a maximum length of 80 characters 2 1 Level Names TMAP Code The levels are named using an A10 string The element code is at the beginning e g HE and the following one or two numbers indicate the ionization stage e g HE2 This is mandatory The next numbers indicate the principal quantum number of the level e g HE26 For levels with a complicate configuration the electron system and the magnetic quantum number may be added e g 042P 2PO Singly excited levels are marked by a doubly excited by a directly before t
61. f equivalent widths are measured with PROF1 It contains information about the measured interval theoretical and observed equivalent width measure from the spectrum e AUX This file is created if labels are interactively inserted and saved It can be easily edited and used for a following PROFI session e CMD While a PROFI session is active all commands are recorded and can be saved at the end of the session Thus a batch job is created which can be run as a procedure and creates automatically plot files If different plot data files are copied to the same path subsequently this procedure can create standard plots of different plot files e DAT REN This file is created if a spectrum is normalized by PROF1 and saved basic format see above e LOAD In this file all spectra a listed which shall be automatically loaded by PROF1 at the beginning of the session It can be created from the spectra menu of PROF 1 e MRK In this file the base points for the rectification of spectra with natural splines can be saved e REN This file contains information about the normalization of a spectrum Sometimes it appears necessary to correct the position of the local continuum The following session can refer to this file and thus uses the same base points for normalization e REN_DAT This file contains a re normalized spectrum e SET In the file information defaults about the size of the plot box etc are saved It is read by P
62. h TMAP 81 then echo new NLTE model_ MO created cp MI MI _ date y Yan Nd _XH M S cp MODOUT MO chmod 600 MO ls 1 MO if test s STOP then cp STOP MO converged fi else echo no new model MO created gt MO failed touch MO failled HOSTNAME echo no new model_ MO ucreated if test s MODIMP then echo model found from iteration before failure cp MI MI _ date y Ymn d 94H 90M 968 cp MODIMP MO _tmp ls 1 MO _tmp fi fi if test s IONPLOT then cp IONPLOT jobdir name IONFRAC ion fi if test s PLLP then cp PLLP jobdir name 1p fi if test s PLOTCORR then cp PLOTCORR jobdir name corr fi if test s PRFLUX then cp PRFLUX flxdir name flux fi if test s SIRUCTURE then cp STRUCTURE jobdir name T structure fi fi do not edit the rest of this file TEA set x HOME jobend TMPDIR 82 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D 9 Naming the TMAP models In the framework of the Virtual Observatory TMAP models and SEDs that are calculated from them have to follow a general rule The models names have to start with Tog TTTTTTT and log g G GG followed by the element abundances in mass fractions An example is 0100000_7 00_H __9 0000E 01_HE _1 0000E 01 This is suitable for a small number of elements where the level name stays relatively s
63. h in the marked field is of special importance because PROF 1 uses this value as origin of an internal coordinate system The data of the line profiles is given relative to the line center All following program steps refer to this wavelength It follows the number of x y pairs as announced in the header There is no special format necessary but the first four columns have to be blank At the end of every data set an information segment follows which is used by PROFI to find the position of blends in the calculated line profile and to get informations about the line broadening theories which were used to calculate the line profiles This segment has the following form 13 total number of lines incl blends in this data set A20 2F13 3 type of lines in TMAP Code Sect 2 1 distance A relative to the central wavelength see above central depression of the line 13 total number of lines A20 A10 line broadening theory used to calculate the line e g VCS 88 11 2 2 Spectra The basic format of all spectra files which are accepted by PROF 1 is A20 name of spectrum I6 number of x y pairs 6X x y pairs The number of x y pairs is currently limited to 18 000 11 23 PROF1 Auxiliary Files The program PROF1 can create a variety of auxiliary files These files are explained in the following They can be recognized by their extension 54 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP e AEQ This file is created i
64. he electron system indication e g N338 2PO In the case of explicitly considered multiplet splitting the angular momentum is added at the end e g C452D5 2 2 2 List of Keywords for the Atomic Data File ATOM LTE RBB RBF RDI RLL RLU CBB CBF CBX TL DB 2 3 Description of the Keywords The expression card which is frequently used in the following is a relic from the PUNCH era and is used for historical reasons keyword comment not written to atomic data file keyword 0 Null necessary to end the validity of some keywords e g L LTE keyword ATOM Creation of Atomic Data Files 7 introduces a new element The following card indicates 1 the chemical abbreviation FORMAT A2 2 charge of the lowest ionization stage in e in model atom 3 atomic weight in AMU Example ATOM HE 0 4 0026 means all following cards describe an helium model atom starting with neutral helium He 1 the atomic weight is 4 0026 AMU keyword L introduces non LTE levels All cards following this keyword indicate 1 level name FORMAT A10 Sect 2 1 2 name of ground state of the following ionization stage FORMAT A10 Sect 2 1 if no parent exists NONE 3 energy to the ionization limit in Hz 4 statistical weight if no parent exists 1 0 Example L HE26 HE31 3 6548882425E 14 72 0 levels of an ionization stage are expected in increasing energetic order from the ground state The keyw
65. he limit log up of the inner atmosphere This limit can be varied under the premise that the atmosphere has to be optically thick over the complete frequency grid at least at the inner depth point This is one of the basic assumptions of PRO2 and LINE1 Attention the requested value is only a start value which can be differ from that of the finally calculated LTE model TAU SCALE x y z This option defines the arrangement of the inner depth points e z 0 0 depth points are logarithmically equidistant Ar m start values e z gt 0 0 like z 0 0 but the distance start value of the innermost depth points 89 90 is z default is z 1 0E 05 e z 0 0 like z 0 0 but the distance of the depth points x y decreases logarithmically by the factor z ITMAX 100 maximum number of iterations of the Uns ld Lucy temperature correction method In the case that a negative temperature is detected LT E2 will stop immediately The output model contains then the atmospheric structure of the iteration before DAMP 0 5 start value of an artificially introduced damping factor within the Uns ld Lucy temperature cor rection method This factor is partly necessary because the method appears to be unstable in most cases In the course of the iterations this value is automatically reduced to increase the stability this might seem to be convergence EPS 1 0E 6 convergence see above limit to stop the U
66. his option only the occupation numbers of the given elements here XX YY ZZ are it erated In combination with the card SOLVE STATISTICAL EQUATIONS ONLY a classical line formation iteration is done In all depth points XX is Newton Raphson iterated inclusive con straint equations first then YY and at least ZZ Attention this option alone does not switch off the constraint equations LINEARIZATION MODE BLOCK MATRIX ITERATION ALL like LINEARIZATION MODE BLOCK MATRIX ITERATION XX YY ZZ All elements are iterated in order of their appearance in the atomic data file ATOMS MICROTURBULENCE KM S 0 0 with this option the microturbulence pressure is considered in the hydrostatic equation but not in the calculation of the line profiles NEWMAX 1 maximum number of linearizations OCCUPATION PROBABILITY FORMALISM FOR AA The Hummer Mihalas HM formalism is used to calculate the level dissolution for AA H1 or AA lt ion gt OPACITY PROJECT RBF DATA START AT EDGE PRO2 can calculate bound free cross section using data from the Opacity Project OP Here the OP data set is used and the cross sections start at the threshold energy of the respective level OPACITY PROJECT RBF DATA FULL DATA SET see above the complete OP data set is used which may start at lower energy the the level energy in order to simulate the transition from the line absorption to the continuous absorption at the series limit OP
67. hort Thus the general form for a model name is then TTTTTTT_G GG_ABUND_ lt nnn gt where nnn is a three digit integer code ABUND nnn corresponds to a file with the same name located e g in the model directory It has the form H 9 0000E 01 source gt HE 3 0000E 05 lt source gt C 4 0000E 06 source gt N 2 0000E 06 lt source gt 0 1 0000E 05 lt source gt NE 2 0000E 03 source gt SI 8 0000E 06 source gt FE 1 0000E 03 source gt NI 2 0000E 05 source gt Please use one line per element starting with the TMAP element code The abundances are in mass fraction The entry for the source of the abundances is optional and format free Avoid to use any string that will be erroneously identified as an element code by a UNIX grep command In the TMAP jobs the following has to be inserted to set some shell variables moddir is the model directory abund_old and abund_new may be used for different abundances abund_old ABUND_001 abund_new ABUND_001 abundances in mass fraction see files old abundances oldabund moddir abund_old Hold grep H oldabund awk print 2 HEold grep HE oldabund awk print 2 Cold grep C oldabund awk print 2 P Nold grep N oldabund awk print 2 Dold grep
68. i Uo C 3 input parameters a b c 62 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A 3 RBB Transitions A 3 1 Doppler Profiles ve f Av Am Oij mec Avp Vo 2kT AUD C MATOM 1 input parameter fi A 3 2 Voigt Profiles only Radiative Damping Te A aah Oij mec Avp T Av de D An Avy Avy i i 2 input parameters fi T A 3 3 Voigt Profiles Radiative and Collisional Damping Electrons dij like in A 3 2 but r Traa Ts 2 n n8 Tg 6 11 10 E up2 2 Cowley 1971 3 input parameters fi Trad 2 eff z 1 A 3 4 Voigt Profiles and Stark Wings Linear Stark Effect Ta 3 A os J Oo max o 1J ij St ij 0 0368 Z fi i 1585 SnZMikro SnZMikro Srmn nup up 1 Niow Niow 1 2 NION E ZMikro 5 Zi nj i 1 2 nur ff 6 input parameters fij Irad ES os Tian A 3 5 Stark Line Broadening following Dimitrij vic like formula 3 Formula Collection 63 A 4 RBF Transitions A 4 1 Seaton Formula Vth sme S ora catt z g Ven hydrogen like oo 2 815 107 5 Nog th with the effective principal quantum number gu is the bound free gaunt factor z core charge of the ion 3 input parameters 07 0 S A 4 2 Seaton Formula with Gaunt Factor Mth 8 V ov 00 je 0 a gu x y z U U 6 input parameters
69. i 1 0E 03 1 5 1 STEP UP F VALUES MODEL START HE1 1 0E 04 1 5 1 STEP UP F VALUES MODELSTART HE2 1 0E 03 1 5 1 ITMAX 20 ERRSCH 1 0E 4 NEWMAX 2 ERRNEW 1 E 8 RADIATIVE EQUILIBRIUM DIFFERENTIAL INTEGRAL FORM INNER BOUNDARY LAMBDA ITERATION LINEARIZE HYDROSTATIC EQUATION NO NEGATIVE POPULATION NUMBERS LTE SWITCH OFF LINES DEPTH DEPENDENT LINE PROFILES LINEARIZATION FIRST KANTOROVICH 2 SWITCH LIMITS 0 gt 1 1 gt 2 2 gt 1 0 1 0 01 0 5 SOLVE STATISTICAL EQUATIONS ONLY RE SOLVE PARTICLE CONSERVATION NO TEMPERATURE CORRECTION UNSOELD LUCY TEMPERATURE CORRECTION DAMP 0 1 0 1 0 1 UNSOELD LUCY PARAMETERS PRINT LIMIT 0 1 TAU WIS 0 1 1 REDUCE LOG CVEC 1 PRINT OPTIONS PRINT MODEL ATOMS OVERVIEW PRINT ABUNDANCES PRINT MAX REL CORRECTIONS EVERY 1 ITERATIONS PRINT INTEGRATED SURFACE FLUX ITERATION EACH PRINT CP TIME ITERATION EACH PLOT EMERGENT FLUX ITERATION LAST PRINT OUTPUT MODEL ITERATION LAST DEPTH INCREMENT 1 STRUCTURE ONLY PRINT CORRECTIONS OF LAST LINEARIZATION ITERATION LAST DEPTH INCREMENT 1 LP PLOT OPTICALLY THICK THIN ITERATION LAST FILE ONLY PLOT IONIZATION FRACTIONS IONFRAC 8 5 2 5 10 0 0 5 MACHINE hostname eos cp MI MODIN chmod 600 MODIN cp aa ATOMS cp ff FGRID home rauch data get_OP gt dev null BI code _ mod type sys lt DATEN if test s MODOUT How to calculate a NLTE model wit
70. ic arrangement of their frequency points full lines like inserted if the line parameter is set to 1 Tab 1 The choice of line parameter 0 is generally possible for all other line transitions under the 16 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Table 1 The line parameter and default frequency point arrangements for line transitions line parameter frequency points v vo Avpoppter comment 0 5 0 2 5 2 E universal A 202498 1 9 3 2 3 3 0 3 3 2 5 universal 1 5 like 0 in case of line overlaps like 1 universal 3 3 0 5 E pre iteration premise that the flux gradient is almost constant over the full width of the line This kind of frequency discretization within a line transition is named half line An automatical differentiation is made if the line parameter is set to 1 This has the great advantage that fewer frequency points are inserted in the grid compared to line parameter 1 The line parameter 3 is equivalent to line parameter 1 but inserts only three points five in case of overlap for a line This saves memory and computational time but is somewhat unrealistic because the line profile is not well represented by this frequency point arrangement At least a subsequent iteration with a more detailed frequency grid e g created by SETF2 from the same atomic data file ATOMS but with the line parameter 1 is necessary The f value limit can be chosen to represent lines with f va
71. in PARA1 INC accordingly 5 3 Input and Output Files The program PRO2 expects the following input files only those which are marked with are necessary ATOMS atomic data file Sect 2 DATEN contains all input cards used as a here document for STDIN file name can be freely chosen FGRID frequency grid Sect 3 MODIN start model Sect 4 RBF_CUTOFF 26 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP optional input file that can be used to set specific bound free absorption cross section equal to 0 starting at a given frequency Example cat gt RBF_CUTOFF lt lt eos LOW UP CUTOFF FREQUENCY C4328 C5228 1 0E16 HE28 HE31 1 2E17 The first record in RBF_CUTOFF in the above example is optional The program PRO2 creates the following output files MODOUT output model NEGDENS Indicates that negative density values exist in MODOUT MODOUT can be read by LINE1 and transformed into a formatted version This model may be edited then STOP Indicates that a model converged PRO2 will stop immediately in case that this file exists in the working directory because it assumes convergence then cf Sect 10 This can be used to stop PROZ2 calculations e g to restart the jobs with a changed input file DATEN 5 4 Input Options The program PRO2 can be controlled by a number of inp
72. interval of existing models This is done by CUTM to reduce the log m interval both minimum and maximum and EXTEND to reduce the minimum log m Since the number of depth points will deviate from the standard of 90 NDSCALE can inter polate models with any number of depth points to a new models with a chosen number of depth points 6 1 1 Reduce the Depth Interval CUTM First copy a binary TMAP model 90 depth points to the file MODIN and start e g home rauch bimod cutm Linux_X86 CUTM asks for the log m interval and writes the reduced model to the file MODOUT The following displays an example batch job file for CUTM bin sh set x HOME jobstart do not edit the beginning of this file TORIBIO RIOR HEB BHEN NS own job following THEBBHUHHHEBBHUEH HEB IHE S cp binary input model MODIN home rauch bimod cutm sys lt lt eos 750 2 00 eos mv MODOUT lt binary output model gt do not edit the rest of this file HHHHHHHHHHHHHHHHHHHHH set x HOME jobend TMPDIR 6 1 2 Extend a Model Atmosphere to the Outside EXTEND Start with the creation of a formatted TMAP model and copy it to the file MODIN Write the number ND of depth points of this models into the file MODIN_ND and start e g home rauch bimod extend Linux_X86 EXTEND asks for the log m minimum and writes the extended model to the file MODOUT The following displays an example batch job file for EXTEND CUTM and NDSCALE 37
73. ive equilibrium is eliminated from the linearization The tempera ture structure is calculated after the linearizations with the Unsold Lucy temperature correction method The damping factor x is used to avoid over corrections and numerical instabilities UPPER AND LOWER LIMITS FOR RELATIVE T CORRECTION t t The relative temperature corrections iteration i are limited to the range Ti t Ti 1 Ti t2 at NLTE Models PRO2 33 all depth points 5 5 Output Options The following PRINT and PLOT cards create output on STDOUTt and plot data files respectively The plot files are written in WRPLOT readable format The option should be easily understand able Generally for XXXX EACH or LAST can be inserted ii indicates an 12 format specifier FORTRAN 5 5 1 Output to STDOUT PRINT ABUNDANCES PRINT BROYDEN INFORMATIONS PRINT CORRECTIONS OF LAST LINEARIZATION ITERATION LAST DEPTH INCREMENT i PRINT CORRECTIONS OF TOTAL DENSITIES ITERATION LAST DEPTH INCREMENT i in the case of non linearization of the hydrostatic equation default see above PRINT CP TIME ITERATION XXXX PRINT DATA FOR DIELECTRONIC RECOMBINATIONS prints especially the frequencies which are selected by PRO2 PRINT DEPARTURE COEFFICIENTS ITERATION XXXX DEPTH INCREMENT 15 PRINT EMERGENT FLUX ITERATION XXXX prints also T g which is an sensitive control parame
74. least with a REDUCE LOG CVEC 1 during the very first iterations 2 no yes LTE2 LTE2 very fast no yes LTE2 PRO2 fast using now the final frequency grid 4 yes yes PRO2 PRO2 initial test with ITMAX 0 NEWMAX 0 LP PLOT OPTICALLY THICK THIN ITERATION LAST FILE ONLY whether the atmosphere is optically thin at the outer boundary at least two depth points and optically thick at the inner boundary at least two depth points if this is not fulfilled recalculate the LTE2 models with slightly extended Tmin and or Tmar be aware that the following PRO2 calculation will change the atmospheric structure and the occupation numbers of the atomic levels and thus all line strengths check this 7 1 limit in the atmosphere by default after all PRO2 jobs together with temperature structure and spectral energy distribution 5 yes yes PRO2 PRO2 test whether all lines can be considered in the temperature correction directly from the outset a if numerical instabilities are encountered try first REDUCE LOG CVEC 1 or REDUCE LOG CVEC 2 b if step a is not successful use the STEP UP F VALUES method start with unprob lematic ions like H1 and Herr followed by those that have low ionization fractions and finally those that are dominating in the line forming region 6 yes yes PRO2 PRO2 in the final model neither a REDUCE LOG CVEC nor a UNSOELD LUCY TEMPERATURE CORRECTION is allowed AVINL WM opour FIN Y XML 09 MOH The UNSOELD LUCY TEMPERATU
75. lly converged model SAVING MODEL EACH ITERATION a temporary model MODTMP is saved in the working directory TMPDIR An example how to save this temporary model automatically in case of a failed model calculation is given in Sect D 8 5 An In sf MODTMP name before the start of the model calculation where name is the assigned name of the output model helps to identify the model SET TEMPERATURE t logm logm scaling factor within log m lt log m lt log ma the model temperature is set to 201 t 1 cubic spline interpolation of t t 2 linear interpolation of t t 3 t read from model TIN t 4 tis temperature value of next depth point with log m gt log m t 5 like t 3 but an additional third argument scaling factor has to be given that is multiplied to the TIN temperature SHIFT EDGE BBBBBBBBBBFFFFFFFFFF X The absorption threshold of the level BBBBBBBBBBFFFFFFFFFF given in the TMAP code Sect 2 1 is artificially shifted to the frequency point x Attention The given frequency x has to fit exactly a point within the frequency grid FGRID All shifts are printed to STDOUT 32 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP SKIP ATOM AA BELOW x the element AA flushed to the left with occupation numbers less than x are eliminated from the statistical equations SKIP ION III BELOW x ion III flushed to the left with occupation numbers less than x are
76. lues smaller equal than the f value limit analogously to line parameter 3 independent from DB values in ATOMS This reduces slightly the number of frequency points in FGRID The frequency grid contains by default the interval 1 0 101 2 99792458 10 7Hz 1 A Tab 3 The optional parameter EUVmax allows to change the maximum in the case that EUVmaz is larger than 2 99792458 10 Hz EUVnumber indicates the number of frequency points which are inserted by SETF2 in the range 1 0 1017 EUVmazx Hz in the case that EUVmaz is smaller that 2 99792458 10 Hz EUVnumber is disregarded CONTS_MAN This optional file contains additional frequency points given in A or Hz In this input file frequency points can be requested to insert which are important for the evaluation of the models e g in the case of the emergent flux and the calculation of specific colors Doubly requested points are disregarded CONTS_MAN can be created using home rauch bimod prep_contsman Linux_ lt X86 P4 x64 gt gt CONTS_MAN lt lt eos min max lt step resolving power gt eos for wavelength or frequency points In case that the third argument is gt 100 prep_contsman assumes it to be the resolving power prep_contsman accepts more than one input line F_BASE This optional file contains additional frequency points given in or Hz If the file FLBASE exists and contains valid input data all requested points are created as base grid in the interv
77. ner K Deetjen J L Dreizler S et al 2003 in Astronomical Society of the Pacific Confer ence Series Vol 288 Stellar Atmosphere Modeling ed I Hubeny D Mihalas amp K Werner al Werner K Dreizler S amp Rauch T 2012 TMAP T bingen NLTE Model Atmosphere Package Astrophysics Source Code Library Werner K amp Husfeld D 1985 A amp A 48 417
78. nner boundary condition PRINT TAUSCALES ITERATION XXX DEPTH INCREMENT ii PRINT WARNINGS LP PLOT OPTICALLY THICK THIN ITERATION XXXX NLTE Models PRO2 39 A plot of the 7 1 limit in the atmosphere is printed and saved in a file PLLP 5 5 2 Output into Plot Data Files PLOT CORRECTIONS PLOT DEPARTURES xmin xmax ymin ymax PLOT EMERGENT FLUX ITERATION XXXX same like PRINT card output is written into file PRFLUX PLOT FLUX xmin xmax ymin ymax PLOT IONIZATION FRACTIONS AA xmin xmax ymin ymax LP PLOT OPTICALLY THICK THIN ITERATION XXXX FILE ONLY A plot of the 7 1 limit in the atmosphere is saved in the file PLLP only PLOT RBF CROSS SECTIONS XXXXXXXXXXYYYYYYYYYY 0000 The RBF cross section of level XXXXXXXXXX Y Y Y Y Y Y Y Y Y is saved in the file PLRBF PLOT TEMPERATURE STRATIFICATION 36 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 6 Adjust the log m Intervals of Existing Models CUTM and NDSCALE 6 1 Adjust log m Intervals of Models One boundary condition of TMAP is that at least the outer two depth points have to be optically thin and at least the inner two depth points have to be optically thick For the calculation of model grids it is an advantage to use approximately the same logm interval for all models as well as the frequency grids see above In case of numerical instabilities it may be helpful to adjust the log m
79. ns ld Lucy temperature correction LTE2 START MODEL This option is only valid if the file TIN is available which is the original file TOUT of a former LTE2 run and contains the temperature stratification of the previously calculated LTE model This option is helpful if a model has not reached the convergence limit see above in the first run and shall be brought to a better convergence Moreover the fake convergence due to the automatically reduced damping factor can be checked OUTPUT MODEL FORMATTED Start Models 23 The output model is saved formatted PRO2 START MODEL This option is only valid ifa PRO2 or LINE1 model is supplied as start model MIN This is helpful to introduce new elements or to vary their abundance ratios The temperature stratification of a convergent NLTE model is used here to calculate LTE occupation numbers particle conservation for all levels of all elements With this option ITMAX 0 is set automatically to preserve the temperature structure A follow up line formation calculation i e at fixed temperature with PRO2 or LINE1 supplies a start model with NLTE occupation numbers and a hopefully good approximation of the final temperature stratification The following options can be given to control the output of LTE2 Their meaning should be clear XXXX can be substituted by EACH or LAST PRINT ABUNDANCES PRINT EMERGENT FLUX PRINT INTEGRATED EDDINGTON FLUX I
80. o the CBB AUTO FILL options the following options are valid CBF AUTO FILL for unknown cross sections hydrogen like values are automatically inserted CBF AUTO FILL NONE CBF AUTO FILL NOOP for OpacityProject cross sections hydrogen like values are automatically inserted CBX AUTO FILL CBX AUTO FILL IGNORE CBX AUTO FILL NONE RBB AUTO FILL NONE RBB AUTO FILL Hi LI RBB AUTO FILL HE2 12 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP RBF AUTO FILL RBF AUTO FILL NOOP UU LILI for OpacityProject cross sections hydrogen like values are automatically inserted set CBF AUTO FILL NOOP also RDI AUTO FILL NONE RLL AUTO FILL NONE RLU AUTO FILL NONE LINEFORMATION RBB INTERVALL 1000 7000 ION H1 This option can be set for line profile calculations in order to restrict number of line transitions in the atomic data file ATOMS to a selected interval here 1000 7000 A If this shall be valid for all line profiles ION NON has to be inserted To insert all line transitions i e even outside the given interval of a selected ion in ATOMS line formation the TMAP code Sect 2 1 here H1 has to be given If this option is given all C AUTO ION NONE options and the RDI AUTO ION NONE option are automatically set
81. od inter Linux_ lt X86 P4 x64 gt INTER read two models MOD 1 and MOD 2 that have been calculated with the same ATOMS and same number of depth points and linearly interpolates them to MOD T This model can be used ideally as a start model for PRO2 LINE1 39 8 NLTE Line Formation and Models LINE1 The program LINE1 calculates based on a suitable start model Sect 3 model atmospheres like PRO2 NLTE occupation numbers at fixed temperature and optional density stratification e g for new levels in the case of extended model ions and theoretical line profiles of selected lines under consideration of the most recent line broadening theories The input and output options are generally the same like those of PRO2 Sect 5 4 and 5 5 8 1 Input Files The program LINE1 expects the following input files only those which are marked with are necessary ABUNDi It is possible to read occupation numbers for newly implemented levels from 14 additional already existing models gt MODINi i from ABUNDi is a number from 1 to 9 model 1 is MODIN with abundance file ABUND model 2 is MODIN2 with abundance file ABUND2 etc and 0 A B C D E for 10 11 12 13 14 and 15 respectively Abundance ratios are taken from the first model that includes the element i e with ascending priority from 1 29 15 model If the elemental abundances of the input model gt MODIN and of the models MODINi differ scaling factors
82. or 7 gt 1 is the general solution for I r SF r a 7 The temperature at the depth point is 7i Ta En aC The hydrostatic equation is solved in inside direction The first four outer depth points are treated following the Runge Kutta method Then the other points are calculated with a predictor corrector method of Ham In detail the electron density at each depth point is calculated for the actual temperature and the given photospheric composition The iteration method is based on Mihalas Stellar Atmospheres Second Edition 5 2 Subsequently LTE2 calculates LTE occupation numbers for all levels of all elements using the Saha Boltzmann equation From these values the Rosseland mean opacity Kg is determined q T is called Hopf function dv 1 T ru a 3B K KR 4c n 13 0 di OT LTE2 gives as result the electron density as well as the total particle density for the whole atmosphere The original log 7 scale is transformed into a log m scale m is the mass column density measured from the outer limit of the atmosphere In practice the temperature stratification of the inner atmosphere differs evidently from a real LTE or NLTE stratification even for pure continuum models without consideration of line blanketing Thus with these start models PRO2 or LINE1 need a relatively large number of iterations to calculate the right temperature structure In order to reduce this number of iterations an Unsold Lucy
83. ord 0 completes the list of NLTE levels for this ionization stage keyword LTE introduces LTE levels analogously to the keyword L Do not forget to complete the list with the keyword 0 Important some formulae for the free free opacity Sect A expect at least one LTE level in the respective ion Attention this is not checked by the program Radiative and collisional transitions are introduced by RBB radiative bb RBF radiative bf RDI radiative dielectronic bf RLL radiative bb for sample cross section within one level band complex ions RLU radiative bb for sample cross section CBB collisional bb CBF collisional bf CBX collisional from NLTE to LTE levels All lists following these keywords have to be completed by the keyword 0 A card which follows one of the keywords except RDI indicates 8 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 1 lower level A10 2 upper level A10 3 formula number for the calculation of the cross section Sect A 4 number n of following input data 5 n input data for the calculation of the cross section Example RBB H11 H13 1 1 0 0791 0 This is the line transition Lyg cross section calculation with formula No 1 one input number 0 0791 For RDI transitions a third level is introduced between lower and upper level which is the upper level of the stabilizing transition and has to be introduced before as a LTE level For RLU and RLL tran
84. r 6 607x 10 19 9 120x10 4 169x 10 19 110721000 6 918x 10 19 7T A13x10 1 280x 10 99 1 202x 10 19 1 778x 1070 4 169x 10 19 2 042x 10 99 1 413x 10 19 2 089x 10 99 1 514x 10 19 4 467x 1071 6 166x 1071 3 090x 10 19 1 047x 1071 3 890x 1071 1 413x 10 9 2 399x10 1 479x 10 19 3 548x 1071 1 000 x 10 19 1 514x 1071H 8 318x 1071 1470x 10 8 318x 1071 8 913x 10 1 7 943x 1071 2 138x 1071 2 951 10 9 3 090x 10 19 4 898x10 10 9 550x 1071 1 738x 1071 9 333x 1071 9 772x 10 10 5 248 1071 1 259210 3 388x 10 1 67 mass fraction 4 159x 10709 5 845x 10 10 2 763x 10 79 7 198x 10 10 4 843x 10709 5 301x 10 19 9 095 x 10 99 9 116x 10 19 1 413x10 98 3 295x 10 99 1 669x 10 95 1 169x10 9 1 787x10 98 1 309x 10 99 3 898 x 10 09 5 411x10 19 2 716x10 99 9 805x 10 19 3 682x 10 19 1 383x 10709 2 374x 10 10 1 497x 100 3 644x 10 10 1 042 10 99 1 592x10 19 8 963x 10 10 1 612x 10 10 9 245x 10 19 1 004x 10 19 9 094 x 10 19 2 479x 10710 3 496 x 10 09 3 699x 10 09 5 950x 10 09 1 171x10 9 2171x10 99 1 188x10 9 1 261x 10708 6 830x 10 19 1 819x 10710 5 023x 10 1 68 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP D How to calculate a NLTE model with TMAP D 1 Basics First a short explanation of the directory structure user LOGNAME home lt user gt adaten is the directory for the atomic data checked by ATOMS2 home lt user gt bimod is the directory for the ex
85. r further assistance the mouse can be hovered over the blue labels The following fields have to be selected or filled in e Contact data The user has to enter name and email address In case any error occurs the administrator can contact the user for assistance Auxiliaries 57 e Upload model and observation For a fast and easy adjustment of the parameters the resulting model will be displayed An observation that covers the wavelength range A lt 911 A is necessary for comparison Input model and observation must contain wavelength in and in increasing order in the first and flux in erg cm sec A in the second column e Normalization For the first overview of the observation model and corrected model a normalization of the theoretical models is necessary to match the observation Therefore the observed flux at 928 or at a chosen wavelength lt 928 A has to be entered e Instrumental resolution TEUV can also apply a correction with a Gaussian profile to the theoretical models to account for instrumental resolution The FWHM of tha Gaussian has to be given in A e The two components For both components temperature in K radial and turbulent ve locities in km sec as well as the column densities in cm of the single ions have to be entered After Upload and Submit the theoretical model is corrected according to the given param eters Additionally models with a ten times larger and smaller H 1 and He1 column d
86. re Tes is necessary for the calculation of the frequency discretization within a line transition central frequency vo The position of the frequency points is depending on the Doppler width Avpoppier d verre This default value can individually be substituted by the keywords TL in ATOMS If the RBB record in ATOMS contains the keyword WAVELENGTH in columns 81 91 SETF 2 uses the value directly following this keyword for the central wavelength of the respective line transition The program FORMELZ can preset this value which may be replaced or inserted with the keyword manually in order to shift the line to the specified wavelength Two edge frequency points are inserted for every bound free transition in ATOMS keyword RBF this is necessary because the ionization into excited levels is considered in detail by PRO2 und LINE1 These frequency points are set at the ionization energy vp of the respective level and at vo 107 yy These points are used to split up the complete frequency grid in single integration intervals For all line transitions in ATOMS a particular number of frequency points is inserted Their order is controlled by the line parameter If nothing else is defined in ATOMS keyword DB the following arrangements are automatically set In the case that the frequency points which are inserted for a line transition overlap with those of another line or with edge frequency points the overlapping lines have to have a symmetr
87. res the oscillator strengths are kept at their last value ATOMS atomic data file Sect 2 like for the start model or extended DATEN 40 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP input and output options Sect 5 4 5 5 and 8 3 this files has to be copied to stdin because LINE1 reads the options from there e g home rauch bimod linei lt DATEN DISTA The frequency grid for the detailed calculation of line profiles is created by LINE1 itself The discretization of the frequency points within the line transitions can be split in intervals with different distances from point to point in order to represent the line centers or possible forbidden components e g gt He 1 4471A with a sufficient number of narrowly spaced frequency points DISTA contains informations how many points at which distance AA in shall symmetrically to the line center be inserted in these intervals Example 5 0 1 1 3 1 5 00 50 results in points at AA in only the red wing given 0 0 0 1 0 2 0 3 0 4 0 7 1 0 1 3 1 6 1 9 2 4 2 9 3 4 3 9 4 4 In case of many lines and a high resolution the parameter NRBBMAD Sect 1 may become very high Due to compiler limitations in the size of arrays no executable may be created then To avoid this the use of a respective F_BASE file Sect 3 and an adjusted DISTA is recommended Example F_BASE creates an equidistant frequency grid from 30
88. rincipal quantum number of the highest H 1 NLTE level ilis the principal quantum number of the highest H 1 LTE level ris the principal quantum number of the highest H 1 NLTE levels up to which all RBB transitions are considered The conditions l gt n and ir lt in are fulfilled In case that ris negative only transitions from ATOMIN up to the NLTE level r are used This is necessary if ATOMIN contains information about line broadening default is Doppler line broadening In the case that iris positive ATOMIN does not need to contain any H model atom AUTO ION HE II in il ir same like AUTO ION H I see above but mandatory in the case that ATOMIN contains a He 1 LI LILILILI model ion ATOMS2 creates He 11 and He 11 model ions otherwise a complete He model atom CBB AUTO FILL If this option is given missing CBB transitions are automatically inserted and possible errors in ATOMIN corrected as far as ATOMS2 is able to detect them The output of ATOMS has to be checked for respective error messages or warnings CBB AUTO FILL IGNORE same like CBB AUTO FILL possible errors are only reported in the output but not corrected CBB AUTO FILL NONE UU LILI If this option is given all CBB transitions are disregarded This AUTO FILL option is only useful for the detailed calculation line profiles This option is automatically set if the option LINEFORMATION is given see below Analogously t
89. rked on solutions of radiative transfer problems using approximate lambda operators and iterates the radiation field according to IE ASP A A S27 The source function S of the actual iteration n is depending on the radiation field J which is to be calculated To calculate S the non linear statistical equations have to be solved under con sideration of the radiative and hydrostatic equilibrium This is done in the inner iteration cycle by a quasi Newton Raphson iteration In the following this procedure is called linearizations 5 2 The PARAMETERs For the compilation of PRO2 the files PARA INC PARA1 INC and PARA3 INC have to be adjusted to the used atomic data file ATOMS Sect 2 and the frequency grid FGRID Example parameter files look like PARA INC PARAMETER NLMAX 229 NIONMAX 79 NATOMAX 17 gt NFMAX 7999 LTEMAX 931 NLATOM 229 PARA1 INC PARAMETER NRBBMAX 249 NRBFMAX 229 NCBBMAX 599 NCBFMAX 229 gt NRFFMAX 61 NCBXMAX 4999 NRLLMAX 1 NRLUMAX 1 gt NRBBMAD 999 NRBFMAD 6 NCBBMAD 6 NCBFMAD 2 gt NRFFMAD 2 NCBXMAD 8 NRLLMAD 1 NRLUMAD 1 PARA3 INC PARAMETER NRDIMAX 1 NRDIMAD 1 NSIG 599999 The PARAMETER denote maximum numbers of e g elements etc see below which can be treated with PRO2 if the files are used for its compilation respectively NLTE Models PRO2 parameter NLMAX NIONMAX NATOMAX NFMAX LTEMAX NLATOM NRBBMAX NRBFMAX NCBBMAX NCBFMA
90. s from its Ground State 59 A 1 8 Her Forbidden Transitions between its n 2 Sublevels 59 A 1 9 Unknown Collisional Cross Sections 2 2 2 22 nennen 60 AL AMO or 3rd Degree y Sa wma u a ar Era Bun 3 POOR 60 A 1 11 Mg rr Allowed Transitions from its Ground State 60 A 1 12 van Regemorter Combined Levels of Complex Ions 60 A 1 21 He 1 Transition between its Levels with s lt 4 60 A 1 25 O Fit in Temperature General Case 2 2 22mm nennen 60 A 1 26 Q Fit in low T General Case a a ee ed 60 A2 CBF ms SA 61 A Hoden l 0 seins rd 61 A 61 pos METIDO pe ia a cs a eH OE HE SE HS 61 AOA Seaton Formula ses eas ee wals ea e Poe Rub Poe es desir 61 ADD Lota Formula s s s edoa e pedradas ee EP ES 61 A26 Mgm3s Mgm2p e o nen 61 A3 RBB Transitions s es sas ersteren eR ESR OSSH SEER OS ORES SH 62 A 3 1 Doppler Profiles x34 Gs ob een aha 62 A 3 2 Voigt Profiles only Radiative Damping 62 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP A 3 3 Voigt Profiles Radiative and Collisional Damping Electrons A 3 4 Voigt Profiles and Stark Wings Linear Stark Effect A 3 5 Stark Line Broadening following Dimitrij vic A 4 RBF Transitions A 4 1 Seaton Formula A 4 2 Seaton Formula with Gaunt Factor len A 4 3 Koester Formula forHel 2 Como A
91. sitions the level names are followed by the name of the file which contains the sample cross section Example RLU FE31 FE33 26_02_01_03 0 keyword RFF introduces radiative free free transitions The following card indicates 1 the ionization stage A10 chemical element abbreviation ionization stage e g HE2 2 formula number for the calculation of the cross section Attention Def LTE 3 number n of the following input data 4 n input data keyword TL The card which follows this keyword indicates the line temperature Tine for all following RBB transitions This is necessary to change the temperature used for the calculation of the Doppler width default Thine 3 ef in the creation of the frequency grid Sect 3 The default is again valid after TL 0 keyword DB introduces an explicit frequency grid for all following RBB transitions The following card indicate 1 number n of frequency points of the line 2 n frequency points distance from line center in Doppler widths Creation of Atomic Data Files 9 Example DB 7 9 727101239 If the first frequency point is 0 0 only half lines are created This grid is valid until the next keyword DB appears The default is valid after DB 0 Note In the T bingen Model Atom Database Sect 2 4 standard DB values are given that are about the maximum needed at low effective temperatures and high surface gravities These values have to be
92. small help menu is available which can be invoked from the PROFI main menu Several submenus can be accessed from this main menu input L at the right row It is worthwhile to note that there is a plot box menu which can be accessed from the first row of the main menu For all further questions and assistance the authors are available via email In the following the format of the line profile and spectra files is briefly summarized 11 2 1 Line Profile Data Files The line profile data files consist out of a LINE1 header and any number of plot data sets The header has the following structure A5 program code of the line profile calculation e g LINE1 A8 date of the line profile calculation A8 time the line profile calculation A5 program code of the model atmosphere calculation e g PRO2 A8 date of the model atmosphere calculation A8 time of the model atmosphere calculation I5 number of the following plot data sets Auxiliaries 93 Every plot data set is devided in three parts i e a header the plot data and information about blends and the line broadening theories used for the calculation of the theoretical line profiles The header has the following format A80 comment free A80 comment free A80 comment free A27 F11 3 A42 both strings free number field central wavelength in A80 title A80 abscissa label A80 ordinate label 15 number of following values in the data set The central wavelengt
93. surface gravity g CHANGE ABUNDANCE AA x MASS FRACTION like CHANGE EFFECTIVE TEMPERATURE see ABUNDANCE for MASS FRACTION COMMENT With this card any comment can be printed at the beginning of the output DEPTH DEPENDENT LINE PROFILES LINEARIZATION XXXXX This option XXXXX FIRST or EACH is indispensable if depth dependent line profiles shall be calculated FIRST saves a lot of computational time 28 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP ERRNEW 1 E 10 limit for the relative corrections to stop the linearizations ERRSCH 1 E 04 limit for the relative corrections to stop the Scharmer iteration FORMAL SOLUTION PRO2 carries out two formal solutions with without line opacities and saves the line profile in the file LINES FREQUENCY GRID FORMATTED The frequency grid FGRID input is formatted STEP UP F VALUES START IIII xi X2 x3 The oscillator strengths of all lines of a selected ion IIII are reduced by a factor of x at the beginning of the iterations and stepped up by a factor of xg every x3 Scharmer iterations For the two possibilities INPUT or MODEL can be requested With INPUT PRO2 uses the values of x x and x3 as requested in the card with MODEL PRO2 reads these values from the start model Sect 4 if a previous PRO2 has not reached unity for all step up values and thus written them to the output model STEP_UP F VALUES NO KANTOROVICH RESE
94. t is possible to combine e levels from an existing atomic data file The data is saved into LEVEL DAT and for the combination of levels into XX ENTARTET XX is the principal quantum number of the combined levels 2 7 3 MULTIPLET During the calculation of the model atmospheres multiplets are considered with a combined level For the subsequent detailed line profile calculation it is necessary to split these multiplets into single components While in most cases the level energies can be taken from literature there are only rudimentary informations about the oscillator strengths of the single components The program MULTIPLET home rauch bin multiplet splits up oscillator strengths of doublets triplets and quartets under the assumption of LS coupling The calculated data is saved into MULTIPLET DAT 2 7 4 SEATON For some RBF cross sections of levels of the ions He 1 C1 C 1v N 1 N v O r O m Ne 1 Ne 11 Mg 1 Mg 11 Si 1 Si tv etc tables have been calculated by Hofs a s These can be evaluated with the program SEATON One gets input parameter for the Seaton formula Sect A 4 For those levels which are not included in the tables SEATON can calculate a hydrogen like cross section 2 7 5 SGF To reduce the pixel to pixel variation or the noise of observations a low pass filter may be used The program SGF home rauch bin sgf processes data following Savitzky amp Golay 1964 Two parameters np and m hav
95. t to 3 Teg Sect 3 The different lines form in very different depths i e at different temperatures This card allows to select the temperature at the formation depth 7 1 of the line core for every lines as line temperature respectively LINEARIZATION MODE BLOCK MATRIX ITERATION ION analogously to LINERIZATION MODE in Sect 5 4 This card allows to select one single ion to iterate MATRIX INVERSION MINV The matrix inversion for the solution of the statistical equations is carried out by the SCILIB routine MINV Attention numerically instable for n gt 200 220 MATRIX INVERSION INV The matrix inversion is done by an own routine MATRIX INVERSION GIRL The matrix inversion is done by routine GIRL single precision More stable than MINV in some cases MATRIX INVERSION GIRLDP The matrix inversion is done by routine GIRL double precision MATRIX INVERSION SGETRF SGETRI The matrix inversion is done by the LAPACK routines SGETRF and SGETRI MISSING OCCUPATION NUMBERS FROM 1 MODELS The occupation numbers of newly considered levels are read from J models J maxi see ABUNDi and MODINi above in increasing order MIKROTURBULENCE KM SEC 0 0 analogously to Sect 5 4 LINE1 considers the microturbulence also in the calculation of the line profiles NEWMAXB 20 LINE1 45 maximum number of linearizations of the Broyden or Kantorovich iterations USE DIMITRIJEVIC BROADENING TABLES FOR
96. ted at the beginning of the 1st Scharmer iteration but then kept constant A new calculation of the Jacobian is done following the JACOBI FRESH UP card see above LINEARIZE HYDROSTATIC EQUATION With this option the hydrostatic equation is solved simultaneously with the statistical equation and not default solved subsequently NO RENORMALIZATION OF COMPLEX LINE CROSS SECTIONS undoes a previously made re normalization of the sample cross sections for iron group elements NO TEMPERATURE CORRECTION the radiative equilibrium is omitted from the linearization T CORRECTION ONLY IN LOG M INTERVAL Min Mas the temperature correction is restricted to the selected log m interval T CORRECTION PROFILE X the temperature correction is damped by simple functions ND total number of depth points X 1 depth point ND 2 depth point ND 3 y depthpoint N D LAMBDA 3 selects the A operator A 3 diagonal operator by Olson amp Kunasz A 4 tridiagonal operator by Olson amp Kunasz 30 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP Both operators are generally parameter free In practice it is less time consuming to do a A iteration in the optical thin case This can be done by requesting a special GAMMA parameter see above In order to accelerate the convergence both operator switch to core saturation if 7 gt 100 LINEARIZATION MODE BLOCK MATRIX ITERATION XX YY ZZ with t
97. ter PRINT FREQUENCY GRID PRINT INFORMATION ABOUT INPUT SAMPLE CROSS SECTIONS PRINT INPUT MODEL DEPTH INCREMENT 31 PRINT INPUT MODEL DEPTH INCREMENT 11 STRUCTURE ONLY PRINT INTEGRATED SURFACE FLUX ITERATION XXXX PRINT KANTOROVICH INFORMATIONS 34 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP PRINT LEVELS prints level names energies and statistical weights of all LTE NLTE levels PRINT LEVEL SKIP INFORMATION PRINT MAX REL CORRECTIONS EVERY ii ITERATIONS PRINT OCCUPATION PROBABILITIES ITERATION XXXX DEPTH INCREMENT ii PRINT OPACITY PROJECT INFORMATION PRINT OUTPUT MODEL ITERATION XXXX DEPTH INCREMENT ii prints temperature and density structure and all occupation numbers of the NLTE levels PRINT OUTPUT MODEL ITERATION XXXX DEPTH INCREMENT ii STRUCTURE ONLY prints temperature and density structure PRINT MODEL ATOMS OVERVIEW PRINT NUMBER OF FUV PHOTONS PRINT OPTIONS prints the most important input parameters PRINT PARAMETER NSIG for the optimization of the PARAMETER NSIG NRLUMAD and NRLLMAD PRINT RADIATION FIELD ITERATION XXXX DEPTH INCREMENT ii PRINT RBF CUTOFF FREQUENCIES prints the frequency where the RBF cross section of a level is set equal 0 PRINT ROSS ITERATION LAST print the value of ROSS for the i
98. teration started with the updated matrix of the last Scharmer iteration This is only suitable for diagonal operators A 3 3 like BROYDEN 1 but suitable for tridiagonal operators A 4 4 like BROYDEN 2 but suitable for tridiagonal operators A 4 The three switch limits e ea 3 indicate e switch from BROYDEN 0 1 if the relative corrections of the Scharmer iteration are smaller than ej Is e gt 1 E33 required the 1st Scharmer iteration immediately starts with the Broyden method 9 switch from BROYDEN 1 gt 2 if the relative corrections of the Scharmer iteration are smaller than 3 switch back to the next lower BROYDEN stage if the relative corrections for the temperature or the electron density a higher than ez This shall avoid divergent iterations While in the case of diagonal operator the switches occur locally following local criteria the tridiagonal operators require global judgement and used the highest relative correction found in the whole atmosphere Informations about the switches can be printed to STDOUT see below CHANGE EFFECTIVE TEMPERATURE x generally PRO2 takes the information about Ter from the start model Sect 4 With this card the another To can be chosen This works in small steps and takes much less time than the calculation of a new model with almost the same parameters CHANGE LOGG x like CHANGE EFFECTIVE TEMPERATURE but for a new value of the
99. the necessary input data It is controlled via web interface http astro uni tuebingen de TIRO in which the following inputs have to be given e The name institute and email address of the user have to be given to inform the user about the status of the process and the location of the results e The resulting line profiles depend on the line temperature Ty Ty is 3 4 T ff and corresponds to the mean temperature in the lineforming region e A frequency grid can be uploaded The corresponding file has to be written in plain text with monotonically increasing frequency points and must be in TMAP http astro uni tuebingen de TMAP format Alternatively a start and end wavelength as well as a spacing or maximum number of points can be chosen The frequency grid is then created automatically by TIRO The calculations are performed on this frequency grid or already calculated cross sections from the database are interpolated to this frequency grid e It is possible to retrieve data for all ionization stages up to Ix The requested ionization stages can be chosen e Cross sections for the iron group elements can be created considering all or some of them individually or generically When the individual option is chosen an easy adjustment of the abundances in the model atmosphere calculation is possible A generic model atom consists of selected iron group elements In this case the given abundance ratios are fixed in the resulting model atom
100. to the IR To avoid excessively high NRBBMAD values a dynamic adjustment of the blue and red line limits is necessary The values given in the input file DISTA are inter extrapolated to DISTA values x1 at Amin and DISTA values xDY NF ACTOR at Amaz 50 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP 10 Clean Up TMAP requires a controlled clean up from time to time 10 1 Delete TMAP Working Directories The general job structure of TMAP is 4 bin sh set x HOME jobstart do not edit the beginning of this file PARAR EH TEETH AE TEE own job following TERE TETETETE HEAP PETE HP PEE do not edit the rest of this file HEHE BERE I E USE set x HOME jobend TMPDIR HOME jobstart creates a working directory of the form scratch weekly lt username gt YYYY MM DD_hh mm ss that is deleted at the end of a job by HOME jobend In case of a user break lt CTRL C gt the working directory and all data therein remain on the scratch disk These have to be deleted regularly by rauch tools clearTMAPscratch all_linux_no_ask Be aware that this command deletes all TMAP working directories In case that TMAP jobs are still running they will fail 10 2 Kill TMAP Jobs In case that TMAP jobs were started using the nohup command they will continue even if the user logged out or if the console was rebooted Then these jobs can be killed individually on the respective machines cf user of
101. udes in the atomic data file ATOMS Sect 2 The program FORMELZ home rauch bin formel4 calculates these data mainly the classi cal damping constant and the effective quantum number from an existing atomic data file The calculated data is saved into the fils FORMEL4 DAT and FORMELJ RBB FORMEL4 RBB can be used the replace the respective section of the atomic data file which was used to calculate the data 14 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP FORMELZ inserts also the vacuum wavelengths starting with the keyword WAVELENGTH in columns 81 91 The wavelength values may be the replaced by measured wavelengths in order to shift those lines which arise from levels with uncertain energies to the correct wavelengths A subsequent run necessary of SETF2 on the modified ATOMS yield a frequency grid with these lines at the correct wavelengths 2 7 2 LEVEL The level energies in literature are commonly given in cm measured from the ground state of their ionization state In the Tiibingen NLTE Model Atmosphere Package TMAP the level energies given are the difference to the next ionization limit i e the energy which is necessary to ionize into the ground state of the next ionization stage The program LEVEL simply transforms these energies The program LEVEL home rauch bin level runs interactively It is possible to calculate e energies of single levels e energies of combined levels Furthermore i
102. ut options Some of them are initialized with a default value indicated by and can be omitted if no other values shall be requested Indispensable blanks are indicated by Numerical data can be inserted format free whatever commented by in the first column disregarded by PRO2 ABUNDANCE AA x introduces the abundance of the element AA flushed to the left The input x is the number ratio relative to hydrogen If the start model contains already the element AA this card is disregarded ABUNDANCE AA x MASS FRACTION introduces the abundance of the element AA flushed to the left The input x is the mass fraction If the start model contains already the element AA this card is disregarded ACCELERATION OF CONVERGENCE FROM ITERATION 999 the Ng method for acceleration of convergence is used starting from iteration 999 After every 4th iteration all photospheric parameters are extrapolated from the previous iterations NLTE Models PRO2 27 BROYDENSOS u WI TCH LIMITS Or gt 1 1 52 2 gt 1 1 E 33 1 E 33 1 E 33 This option invokes a quasi Newton method Broyden method instead of the Newton Raphson iteration of the linearized equations 0 Newton Raphson iteration Broyden method at the beginning of each Scharmer iteration started by a normal Newton Raphson iteration step This is only suitable for diagonal operators A 3 2 Broyden method at the beginning of each Scharmer i
103. vels and a wide variety of C m N tv and O v levels The list of multiplets is permanently updated 4 2 LTE Models The program LTE2 produces LTE models without any consideration of line blanketing within a large range of photospheric parameters The created model has PRO2 format and is a start model for PRO2 or LINE 4 3 Calculation of a LTE2 Model The program LTE2 calculates models in gray approximation It uses the same atomic data ATOMS Sect 2 and frequency grid files FGRID Sect 3 like PRO2 and LINE1 No line blanketing is considered LTE2 is controlled via the input file DATEN with a number of options Sect 4 3 2 4 3 1 The Method The program LTE2 calculates a model atmosphere based on the requested effective temperature Tos surface gravity g chemical composition and the files ATOMS and FGRID An equidistant log 7 scale 7 is the Rosseland optical depth with ND depth points Sect 1 is created on which start values for the temperature stratification are calculated This log 7 scale can be manipulated by some options see below With the basic assumption of LTE S B T the mean intensity of the radiation field is T J r S T B T r T OR ie the flux is constant 4 J S 0 Thus also the 1st moment of the radiation field 4K H is constant and yields the exact integral 1 a Zu in Start Models 21 From this we get K r gt 3F TforT gt 1 K r the intensity iJ r f
104. ver still some iterations are needed ACCEPT CHANGED ABUNDANCES LINE1 generally takes the chemical composition from the start model MODIN and ignores ABUNDANCE cards in the input file but for newly implemented elements For very large models the change of the abundances in small steps takes much less times than the complete new calculation with mainly the same parameters However also still some iterations are needed CPU TIME TTTTT maximum CPU time for the job TTTTT given in seconds CPU TIME 0 30 This card transfers the total cpu time then stop to LINE1 There are load dependent variations of the system cpu time which accounts to the user cpu time These variations can effect the security time needed by LINE in order to complete the iteration write the model etc DOPPLER PROFILES This option sets the line broadening of all line transitions in the atomic data file ATOMS generally to Doppler line broadening This can be used for a quick overview about blends within a selected range 44 A User s Guide to the T bingen NLTE Model Atmosphere Package TMAP FORCE USE OF LINE BROADENING TABLES This option enables the use of line broadening tables instead of approximate formulae during the model atmosphere calculation ITERATION IN DEPTHS ii jj kk The the first kk iterations are carried out only between depth points ii jj LINE TEMPERATURE FROM FORMATION DEPTH The line temperature Tine is by defaults se
105. y Ra a e Bok ew a aa AA 3 Creation of Frequency Grids 4 Start Models 4 1 PRO2 and LINEL Models eo oom mom eee we ee ee eae we eS 2 LIE Models der Sede se he eot Re Ses cde ec Gee me YOUR KE BA E Bd 4 3 Calculation of a LIES Model 4226 6 lt 5 45 44 ka rau e debs Bees il The Method s see a sopa iran as ee SS rele er 432 The Options gt a r usi a Se bok es Sk Ein Se bank ae e ord er a end 5 NLTE Models PRO2 ib ehe ea oo eee a we eek oH OA Se ee eee Se A ee Se eee Ge Ge 5 2 The PARAMETERS 404 4444 4 sau wa X 9 99 3 Xo 99 ew es a 5 3 Input and Output Files 4 40 4 44 oe o oed moe ox ee ee ee Ew hot Input DON 23 93 3 80 E be bs Bur ridad RV Bur RSS mg Output Op dd aes aa Rede Da SERIE EGRE a 55 1 Qutp t do SI DOUT ou es eee eee eee ee RR AAA 5 5 2 Output into Plot Data Flle 2 ss wot e a more c RUE BE EE ws 6 Adjust the log m Intervals of Existing Models CUTM and NDSCALE 6 1 Adjust logm Intervals of Models Con nn nn 6 1 1 Reduce the Depth Interval CUTM 2 o be n 6 1 2 Extend a Model Atmosphere to the Outside EXTEND 6 1 3 Interpolate Models for a New Depth Point Number NDSCALE 7 Interpolate between Existing Models INTER 7 1 Interpolate between Existing Models o Dan 0 10 10 10 10 10 12 13 13 14 14 14 14 15 20 20 20 20 20 21 24 24 24 25 26 33 33 35 36 36 36 36 37 38 II A User s Guide to the T bingen NL

A User's Guide to the Tübingen NLTE Model

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A User's Guide to the T&uuml;bingen NLTE Model

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A User's Guide to the Tübingen NLTE Model