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 Tübingen’s PC/Workstation cluster in its latest version:
/home/rauch/bimod/atoms2 (OSF) and /home/rauch/bimod/atoms2.linux.

An atomic data file (ATOMS) created by ATOMS2 is unambiguously defined by:

the input file (here: OPTIONEN)
the interactively created atomic data file (here: ATOMIN)

In the input file OPTIONEN one can write directives for ATOMS2. ATOMS2 expects OPTIONEN 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 |~| H |~| |~| |~| |~| I in il ir
This option creates a complete H model atom. in is the principal quantum number of the highest H I NLTE level, il is the principal quantum number of the highest H I LTE level, ir is the principal quantum number of the highest H I NLTE levels up to which all RBB transitions are considered. (The conditions il > in and ir < in are fulfilled.) In case that ir is negative, only transitions from ATOMIN up to the NLTE level ir are used. (This is necessary if ATOMIN contains information about line broadening, default is Doppler line broadening). In the case that ir is 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); in the case that ATOMIN contains a He I model ion, ATOMS2 creates He II and He III 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 ATOMS2 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)
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 to 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 |~| |~| ( |~| |~| H1 |~| |~| )
RBB-AUTO-FILL |~| |~| ( |~| |~| HE2 |~| )
RBF-AUTO-FILL
RBF-AUTO-FILL |~| |~| ( |~| |~| NOOP)
(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] Å). 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.

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 transitions, and some statistics. Excited levels are marked in the output with “**”, 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 summarized in a table at the end of the output. Under unix a

grep para ¡output filename¿

extracts them from the output file.

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