XA Online Documentation, XA Features "How do I read in RHF files"

How do I read in RHF table files

The abbreviation RHF stands for Roothaan-Hartree-Fock and the table files are available as an ASCII version from the Atomic Data and Nuclear Data Tables journal.

Before you can read in your RHF table file please check the following points.

Do you have the right RHF table file format?

Have you got the program "xsplit" in your XA directory?

Have you created a subdirectory where you want to store your data?

Is the enviroment variable XENVIRONMENT set to Xsplit?

Now you can start xsplit in your desktop environment. A window will pop up containing two text input fields and beside each of these a push button. The first input field specifies the RHF source file from which the atomic data files are taken. In the second field you can insert the name of the subdirectory where you want to store the data files. If you click on one of the push buttons a file selection box will pop up and allow you to browse through your directories in search for the RHF table file or the destination directory. After having made your selection click on OK to start the extraction or on cancel to end xsplit.

If something unpredictable happens, the program will pop up an error window telling you about what had happened or what you should do to prevent this error again.


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Reinhard Schaffner, © 1995-05-16