XA Online Documentation, XA Features "How do I read in atomic data files"
How do I read in atomic data files
To read in atomic data files you have to start the XA program. Please check
section "How to start XA?" and follow the description
there.
For creating pseudo orbitals and displaying graphs in the drawing area, you
have to load data from an external atomic data file. Please follow the following
steps to open the file:
Open File
You can open an atomic data file by clicking on the File menu. A
pull-down menu will appear where you can select Open. Please try to
remember that this step can be done more quickly by pressing the Alt and
o key on you keyboard.
Select atomic data file
After step 1 a file selection box will pop up and
show the current directory. Browse in your directories till you get to the file
you want to load in. Double click on the filename or select OK to start
the scan, which reads in the atomic data stored in the file.
After your atomic data file was scanned successfully the stored orbitals appear
in the Orbitals listbox on the left side of your XA environment. You can
start to work with XA now or you can open a new atomic data file. If you do so
please be sure to save all changes before opening the new file, otherwise the
previous data will be lost.
[return to home page][return
to features page]
Reinhard Schaffner, © 1995-05-16