NIST Database

Step 1, Download the Energy levels

This step can be done either manually or by using a script.

For manuall download:
- visit https://physics.nist.gov/PhysRefData/ASD/levels_form.html
- enter the species and ionization state, e.g. Z= 3 0
- select the Format output to Tab-delimited
- select the g option
- store the data in a file called NIST_ELevels<Z>.dat
- remove all " in the file
Automatical download:
- type python3 nist_ELevels2.py -Z <z> -I , where <z>is the atomic number and the ionization state , e.g. -Z 3 -I 0
- The script will download the data and store it in a file called NIST_ELevels<Z>.dat.

Step 2, Generate the partition functions

Run python3 nist_partition.py -Z <z> -I . This script will read the previously produces file NIST_ELevels<Z>.dat, and writes a *.pf file.

Step 3, Download atomic masses

visit https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses
select All Elements
select Linearized ASCII Output
select All isotopes
click Get Dataand store the data in a file called masses.txt

Step 4, Download the line list

This step can be done either manually or by using a script.

For manuall download:
- visit https://physics.nist.gov/PhysRefData/ASD/lines_form.html
- enter the species and ionization state, e.g. Z= 3 0
- select Show Advanced Settings
- select the Format output to csv
- Select Wavenumbers (in cm-1) (keep Observed, Ritz and Uncertainties selected)
- Select Vacuum (all wavelengths)
- Select g
- click Retrieve Dataand store the data in a file called NIST_Lines<Z>.dat.
- remove all ?, =, [,],( and )from the file
Automatical download:
- type python3 nist_Lines3.py -Z <z> -I .
- The script will download the data and store it in a file called NIST_Lines<Z>.dat.

Step 5, Create `<species_name>.param` file and the binary files

All necessary files can be created with:

python3 nist_Lines2.py -Z <z> -I <i>

This step includes the calculation of the natural broadening coefficients. This can take o moment to complete.

Step 6, data path

Include the path of the directory, which contains the obtained binary files, the *.pf partition function files and the *.param file to the HELIOS-K param.dat file under pathToData.

References

NIST gives an example how to cite their work:

Example of how to reference these results:
Kramida, A., Ralchenko, Yu., Reader, J., and NIST ASD Team (2019).
NIST Atomic Spectra Database (ver. 5.7.1), [Online]. Available: https://physics.nist.gov/asd [2020, July 22].
National Institute of Standards and Technology, Gaithersburg, MD. DOI: https://doi.org/10.18434/T4W30F


@Misc{NIST_ASD,
author = {A.~Kramida and {Yu.~Ralchenko} and
J.~Reader and {and NIST ASD Team}},
HOWPUBLISHED = {{NIST Atomic Spectra Database
(ver. 5.7.1), [Online]. Available:
{\tt{https://physics.nist.gov/asd}} [2020, July 22].
National Institute of Standards and Technology,
Gaithersburg, MD.}},
year = {2019},
}