WR_F_TO_S
Program for
creating/modifying the XzV_F_TO_S files which describe the linking between the
atomic levels and super levels or species XzV. There is no simple prescription
for the optimal SL assignments. Further, the best SL assignments will depend on
their use --- atmospheric structure or abundance studies. For the later, finer
SL assignments might be more useful. NB: The use of model atoms with no SL
assignments might not be optimal due to inadequacies in the collisional atomic
data.
Options are
ordered under subject. Associated with each option are requested inputs. Some
inputs are not prompted for, and can only be changed from their default values
by specifying them in the call, e.g.,
ELS(CHK_P=F)
Such inputs are placed in [ ].
There are three types of options:
(1)
Options, such
as WR, which provide output.
(2)
Options, such
as RD_SLK, which read in existing data files.
(3)
Options, such
as ELS, which modify the SL assignments.
SVE file:
A text file containing options (transparent
and hidden) used in the execution of a command
Default is to write a file Ôcommand.sveÕ (e.g.,
rd_mod.sve) containing the options used when a command is executed.
Case is important for the sve file but not
for the option.
Append sve=filename to write a new .sve
file (no brackets).
To execute a previous command, enter
.command (e.g., .rd_mod). Options can be changed by supplying the in () after
the sve file name., e.g.,
.rd_mod(over=t)
NB: rd_obs, RD_OBS and RD_OBS1 (etc) are
treated as the same option in PLT_SPEC, but write different sve files with
distinct names.
BOX file:
A text file containing an ordered sequence
of commands as specfied by .sve files, e.g.,
.rd_mod
.cnvlv
.norm
Type box=filename to write a .box file
containing several .sve files
Type #filename to read .box file.
Particulalry useful for reading in multiple
data sets etc.
Required Files:
XzV_F_OSCDAT
Additionally, files containing previous SL
assignments, and level departure coefficients, can be useful.
Input:
RD_DC |
Reads in
departure coefficients (from an CMFGEN XzVOUT file) for a model computed with
current atomic model. If model
was run with N_S=N_F the DC can be output with the levels names in order to
assist in deciding super level assignments. The departure coefficients at 3
distinct depths (d=1, ND/3+1, 2ND/3+1) are read in. |
RD_LNK |
Read in a previously
existing link file. If this file has been edited, and the links numbering is
all mixed up, the CL option should be issued. |
RD_SM_LNK |
This
option allows links for with non-split terms to be read in. These links can
then be used for a model atom with split terms. Split terms are grouped into
the same SUPER level. The number of terms in both files must be identical. |
Output
options
AVE |
Outputs to unit 31 the
average energy of each SL. |
SEP |
Outputs the maximum energy
separation between levels in EACH super level. |
SL_WR |
Levels belonging to a
single SUPER level are output together as a group. Useful for diagnostic
purposes only. Output filename is requested. [DC]: Output departure coefficients for
each SL. |
TY |
Output SL assignments to
terminal. |
WR |
Outputs Super-Level links
in a format suitable for CMFGEN. [DC]: Output departure coefficients for
each SL. [HEAD]: Read header information
from a separate asci file (HEAD_INFO is default). |
WR_DC |
Outputs Super-Level links
in a format suitable for CMFGEN. [DC]: Output departure coefficients for
each SL. |
WR_NOJ |
Outputs SLs for LS level. |
Super-level assignment options
CL |
Option to re-label the
links between super-levels and the full levels The only requirement in the
raw link is that they are unique, and +ve. They do not need to be in ordered.
Very useful for splitting SLs or refining SL assignments using an existing
CMFGEN assignment file. Simply copy the file to a temporary file, and edit SL
assignments directly, without regard to ordering. |
LS |
Combines states with the
same term into a common SL. Overwrites any existing SL assignments. |
ELS E%LS |
Group all terms belonging
to the same LS multiplet. Additional grouping is done by combining terms that
are within DEL_E in energy of the lowest term of the SUPER level (ELS) or
which have a maximum percentage difference in their excitation energy (E%LS).
The defaults is to group together only terms that have the same parity and
spin, although this can be changed using HIDDEN options. DEL_E -
Maximum energy difference for SL in cm-1. [CHK_P]
- Check parity (logical). [CHK_S]
- Check spin (logical). %E
- Percentage diference in excitation energy |
SP |
Similar to ELS except that
all terms belonging to the same multiplet will not necessarily belong to the
same SL. |
SPLIT |
Allows a coarse SUPER level
assignment to be refined according to the energy separation of levels, and the
difference in departure coefficients (e.g., as computed using FULL LS
coupling). This option should be followed by the CL
option. ACC: If
the departure coefficients differ by more than ACC %, they will be grouped
into a new super level. DEL_E:
If the energy separation is > DEL_E (cm-1), a new super level
is created. |