Kurucz/Atoms


*** See /LINELISTS for atomic and molecular linelists sorted by wavelength.

AEL      Atomic energy level data from NBS or NIST or elsewhere in original 
               format.
HF       Hartree-Fock integrals for starting guesses for 50 low configurations 
               computed at Los Alamos in the mid-1980s using Cowan's HF code.
PF       Partition functions computed using the energy levels from the
               GFxxyy.GAM files.
PROGRAMS       Fortran programs for manipulating some of the files
               (not required).
         EXPAND3007.FOR reads GFxxyy.LIN or .WNLIN and GFxxyy.GAM files 
               and writes files in expanded formats.  The user can modify 
               this to change formats.
         EXPANDFORBIDDEN3007.FOR reads GA*xxyy.LIN or .WNLIN and 
               GFxxyy.GAM files and writes files in expanded formats.  
               The user can modify this to change formats.
         GFAGAFGF.FOR program that reformats GFEMQxxyy.POS files for gf 
               to gf, f, fe, A, and gA.

                            INDIVIDUAL IONS
For each spectrum the directory name is element number xx times 100 plus the 
charge yy = /xxyy.  Buttons for each ion are listed below.  Most of these 
ions remain to be filled in.  A suffix 88 on a file extension means a 
calculation from 1988 or so at the San Diego Supercomputer Center.  All
these will eventually be updated.  Negative energy levels are predicted.
Extension .*LIN* means all lines computed for the whole transition array.
Extension .POS means computed lines only between known levels, thus with 
good wavelengths.  Extension .ALL means a .POS file with laboratory or
theoretical gfs substituted from the literature when available.  Extension 
.LAB means gfs were taken from a laboratory reference or a compilation
which may include theoretical calculations.  

Line files with names GF* or HY* have the following 160 column format:

1                                                                             80
+++++++++++^^^^^^^++++++^^^^^^^^^^^^+++++^++++++++++^^^^^^^^^^^^+++++^++++++++++
   800.7110  0.116 27.00   45924.947  3.5 (3F)5s e2F   33439.661  4.5 (3F)4p y2G
    wl(nm)  log gf elem      E(cm-1)   J   label        E'(cm-1)   J'   label'  
                   code                                                         
                        [char*28 level descriptor  ][char*28 level descriptor  ]
                                                                                
continuing                                                                      
81                                                                           160
^^^^^^++++++^^^^^^++++^^++^^^++++++^^^++++++^^^^^+++++^+^+^+^+++^^^^^+++++^^^^^^
  8.19 -5.38 -7.59K88  0 0 59-2.584 59 0.000  104  -77F6 -5 0    1140 1165     0
  log   log   log ref NLTE iso log iso  log     hyper  F F'    eveglande     iso
 Gamma Gamma Gamma   level hyper f iso frac   shift(mK)     ^    oddglande shift
  rad  stark  vdW    numbers                    E    E'     ^abc  (x1000)   (mA)
                                                         I*1^char*3
                                                           codes

FORMAT(F11.4,F7.3,F6.2,F12.3,F5.2,1X,A10,F12.3,F5.2,1X,A10,
3F6.2,A4,2I2,I3,F6.3,I3,F6.3,2I5,1X,A1,A1,1X,A1,A1,i1,A3.2I5,I6) 

 1 wavelength (nm)  air above 200 nm   F11.4
 2 log gf  F7.3
 3 element code = element number + charge/100.  F6.2
 4 first energy level  in cm-1   F12.3
        (if allowed, with same parity as ground state) 
        (negative energies are predicted or extrapolated)
        (sources for observed Es and gLandes are given in B* or C* files)
 5 J for first level   F5.1
   blank for legibility   1X
 6 label field for first level   A10
 7 second energy level  in cm-1   F12.3
        (if allowed, with parity opposite first level) 
 8 J for second level   F5.1
   blank for legibility   1X
 9 label field for second level   A10
10 log of radiative damping constant, Gamma Rad  F6.2 or F6.3
11 log of stark damping constant/electron number. Gamma Stark  F6.2 or F6.3
12 log of van der Waals damping constant/neutral hydrogen number, 
       Gamma van der Waals   F6.2 or F6.3
13 reference that can be expanded in gfxxyy*.lab   A4  
       Kxx are computed by Kurucz in year xx.  
       fourth character:  blank = E1, M = M1, N = M2, Q = E2, O = E4 
14 non-LTE level index for first level   I2
15 non-LTE level index for second level   I2
16 isotope number   I3
17 hyperfine component log fractional strength  F6.3
18 isotope number  (for diatomics there are two and no hyperfine)   I3
19 log isotopic abundance fraction   F6.3
20 hyperfine shift for first level in mK to be added to E  I5
21 hyperfine shift for second level in mK to be added to E'  I5
   the symbol "F" for legibilty   1X
22 hyperfine F for the first level    I1
23 note on character of hyperfine data for first level: z none, ? guessed  A1
   the symbol "-" for legibility    1X
24 hyperfine F' for the second level  I1
25 note on character of hyperfine data for second level: z none, ? guessed  A1
26 1-digit code, sometimes for line strength classes   I1
27 3-character code such as AUT for autoionizing    A3  
28 lande g for the even level times 1000   I5
29 lande g for the odd level times 1000   I5
30 isotope shift of wavelength in mA 



ABxxyyzz.DAT  Hyperfine splitting constants A and B.  zz is the isotope.
 
AELxxyy.DAT, AELxxyyE.DAT, AELxxyyO.DAT  Atomic energy level data hand-
        editted into my format.  You can check the original in AEL or 
        at the NIST website, or in published analyses.  (These are now 
        obsolete.  Get energy levels from Bxxyy*.COM or Bxxyy*.LOG or 
        *.GAM files.)

BxxyyE.COM and BxxyyO.COM are input files from the least 
       squares fits to the observed Even or Odd energy levels.

BxxyyE.LOG and BxxyyO.LOG or .OUT are output files from the least 
       squares fits to the observed Even or Odd energy levels.

CxxyyE.LOG and CxxyyO.LOG or .OUT are output files of all the eigenvalues 
       and the three strongest LS components.  *.LOG is the same as *.OUT.

COMP*.DAT  column of comparisons with other work.  (These do not yet exist.)

Exxyy*.DAT laboratory energy level data.   (Take energies from *.GAM files.)

EXxxyy.COM command file that runs EXPAND3007.FOR to read GFxxyy.LIN or 
       .WNLIN and GFxxyy.GAM files and writes files in expanded formats.  
       The user can modify this to change formats.

EXMQXXYY.COM command file that runs EXPANDFORBIDDEN3007.FOR program to 
       read GA*xxyy.LIN or .WNLIN and GFxxyy.GAM files and writes files 
       in expanded formats.  The user can modify this to change formats.

GAMxxyyE.*, GAMxxyyO.*, GAQxxyyE.* , GAQxxyyO.*   even and odd M1 and E2 
       log gA calculations for whole transition array.  
GA*xxyy*.COM command file.
GA*xxyy*.GAM output energy level file.
GA*xxyy*.LIN output line file with pointers to energy file.  Air wl in nm.
GA*xxyy*.LINES output line file in 160 col format, not on website.
GA*xxyy*.META subset if GA*xxyy*.LINES file with metastable levels.
GA*xxyy*.POS subset of GA*xxyy*.LINES with good wavelenths.
GA*xxyy*.WNLIN like GA*xxyy*.LIN with wavenumbers in wavenumber order.

GAMMASUMxxyy.GAM energy level files with A sums from E+m+Q *.GAM .

GFxxyy files are results for the complete transition array.

GFxxyy.80col    GFxxyy.LINES with only first 80 columns so half as large. 

GFxxyy.AGAFGA   GFEMQxxyy.POS with no damping but wn ,gf, f, fe, A, and gA. 

GFxxyy.ALL is GFxxyy.POS with lines replaced by LAB lines where they exist
       and seem to be better than the computed. 

GFxxyy.BF has the branching fractions, As and A-sums for the lines in 
       GFxxyy.LOW but not broadening data from gfxxyy.lines. 

GFxxyy.COM   command file for computing E1 transition array.

GFxxyy.GAM has all energy levels with the J, label, Lande g, sums of As, 
       C4s, C6s, and the 3 largest eigenvector components.

GFxxyy.ALLGAM are GFxxyy.GAM including LAB data (not yet),  There 
       will also be LIFExxyy.ALL, BFxxyy.ALL.

GFxxyy.LAB is a subset of lines in GFxxyy.POS with gf values replaced by
       the best LAB gf values where they exist and seem to be better than 
       the computed.  All other lines are deleted. 

GFxxyy.LIN has the computed line list in a packed format with indices 
       pointing to the energy levels in GFxxyy.GAM, or GAMMASUMxxyy.GAM.
       Air wavelengths in nm for wl>200nm.  GFxxyy.WNLIN with wavenumbers
       is more accurate in the far infrared and at 200nm air/vac boundary.

GFxxyy.LINES has the computed line list in a 160 column format inclusing
       both lines with good wavelengths and lines with predicted wavelengths

GFxxyy.LOG has the whole transition array printed including all lines that 
       are too weak to matter.  This file is often very large.  It will be 
       loaded only on request.

GFxxyy.LOW has lines with upper energy where the energy levels are (probably)
       complete and below the lowest ionization potential.   
      
GFxxyy.METALIFE  levels selected from GFxxyy.LIFE that are metastable

GFxxyy.POS is the line list expanded from GFxxyy.LIN and GFxxyy.GAM by 
       EXPAND.FOR  but with predicted lines deleted.

GFxxyy.WNLIN like GFxxyy.LIN but with wavenumbers in wavenumber order. 

GFAGAFGFxxyy.COM writes GFEMQxxyy.AGAFGF from GFEMQxxyy.POS

GFEMQxxyy.POS merged file of gf values GFxxyy.POS + GFMxxyyE.METAPOS + 
          GFMxxyyO.METAPOS + GFQxxyyE.METAPOS + GFQxxyyO.METAPOS.

GFxxyyabcd.LAB gf values from source abcd.
GFxxyyabcd.LABBOTH GFxxyy.POS gfs alternating with gfxxyyabcd.lab gfs

HFxxyy.COM input to Cowan Hartree-Fock code.
HFxxyy.DAT Slater integrals from Cowan Hartree-Fock code, Kurucz format.
HFxxyy.PUN output from Cowan Hartree-Fock code, Cowan format.
HFxxyy.RRR transition integrals from Cowan Hartree-Fock code.

HYPERxxyyzz.DAT and HYPERxxyyzz.ALL are GFxxyy.POS or GFxxyy.ALL with 
      hyperfine splitting.  zz is the isotope.  

LABxxyy*.DAT and various odd files.  All measurements and other work on xxyy.  
      Normally these files will be far behind because I now have to do all 
      this work myself.  The existing files may not yet have been updated 
      to the current energies and wavelengths.  LAB files may actually be
      compilations or calculations instead of lab data.

LIFExxyy.DAT are lifetimes computed from GFxxyy.GAM up to the approximate 
      last level where A sums are complete.

LIFExxyy.LAB LIFExxyy.dat with lab values tabulated as well.

LIFEMETAxxyy.DAT the metastable subset from LIFExxyy.DAT.

PARTFNxxyy.DAT is the partition function computed from GFxxyy.GAM.

REFxxyy.dat is the list of references.  (Not used.)
      (The .LAB and AB* files include references.)

RRxxyy.DAT, RRxxyyE.DAT, RRxxyyO.DAT are scaled TFD transition integrals.
RRHFxxyy.DAT, RRHFxxyyE.DAT, RRHFxxyyO.DAT are HF transition integrals.

THExxyy*.DAT and various odd files.  Theoretical calculations on xxyy.  
      Normally these files will be far behind because I now have to do all 
      this work myself.  The existing files may not yet have been updated 
      to the current energies and wavelengths.  

WAVExxyy.COM computes wavefunctions using SIGMA.FOR from /PROGRAM.
WAVExxyy.DAT wavefunctions for all the configurations.  
WAVExxyy.LOG wavefunction printer plots.

periodic table

completed ions

0100

0200 0201

0300 0301 0302

0400 0401 0402 0403

0500 0501 0502 0503 0504

0600 0601 0602 0603 0604 0605

0700 0701 0702 0703 0704 0705 0706

0800 0801 0802 0803 0804 0805 0806 0807

0900 0901 0902 0903 0904 0905 0906 0907 0908

1000 1001 1002 1003 1004 1005 1006 1007 1008 1009